Tag: M.W=100-150

Safety of (E)-2-Methylbut-2-enoic acid. In 2019 FLAVOUR FRAG J published article about RETENTION INDEXES; ESSENTIAL OIL; TOPOLOGICAL INDEXES; PREDICTION; IDENTIFICATION; FRUITS; L. in [Mladenovic, Marko Z.; Radulovic, Niko S.] Univ Nis, Fac Sci & Math, Dept Chem, Visegradska 33, Nish 18000, Serbia in 2019, Cited 30. The Name is (E)-2-Methylbut-2-enoic acid. Through research, I have a further understanding and discovery of 80-59-1.

A recent identification of eugenyl (allylmethoxyphenyl) esters as Anthemis segetalis Ten. (Asteraceae) essential oil constituents, accomplished by means of organic synthesis, motivated us to expand the existing synthetic library with an aim to examine the generality of structure-chromatographic property relationships within this series of volatiles. Herein, the design, synthesis, gas-chromatographic and spectral characterization of members of a library of 85 allylmethoxyphenyl esters (64 are completely new) were described. Analysis of experimentally obtained RI data showed that esters of the same acid and different allylmethoxyphenols always elute in the same order from an apolar gas chromatography (DB-5MS) column: 2-allyl-6-methoxyphenyl RI values, several quantitative structure-property relationship models were built up that correlated several easily available parameters (e.g. Wiener [WI], Balaban [BI], and molecular topological [MTI] indices) of the mentioned esters and their RI data. The generated various quantitative structure-property relationships models (equations that predict RIs of esters of different regioisomers of allylmethoxyphenols with the same acids and the ones that predict RIs of esters of different acids with the same allylmethoxyphenols) were tested on data of previously known related esters. RI data of esters of allylmethoxyphenol regioisomers could be successfully predicted based on 1D topological indices, such as the Balaban, Wiener, and molecular topological indices. Together with RI and MS data accumulated in this work, these models represent a new and simple tool for the identification of allylmethoxyphenyl esters that might potentially represent new or rare natural products.

Safety of (E)-2-Methylbut-2-enoic acid. About (E)-2-Methylbut-2-enoic acid, If you have any questions, you can contact Mladenovic, MZ; Radulovic, NS or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Switchable Synthesis of alpha,alpha-Dihalomethyl and alpha,alpha,alpha-Trihalomethyl Ketones by Metal-Free Decomposition of Enaminone C=C Double Bond WOS:000505916900001 published article about SELECTIVE SYNTHESIS; COUPLING REACTIONS; ALPHA; TRICHLOROMETHYL; CLEAVAGE; REDUCTION; ALKYNES; ALPHA,ALPHA-DIBROMOACETOPHENONES; TRIPHENYLPHOSPHINE; HYDROXYLATION in [Liu, Yunyun; Xiong, Jin; Wei, Li; Wan, Jie-Ping] Jiangxi Normal Univ, Coll Chem & Chem Engn, Nanchang 330022, Jiangxi, Peoples R China in 2020, Cited 77. Computed Properties of C7H8O. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

The novel free radical-based cleavage of the enaminone C=C double bond is realized by using N-halosuccinimides (NXS) in the presence of benzoyl peroxide (BPO) with mild heating, enabling the tunable synthesis of alpha,alpha-dihalomethyl ketones and alpha,alpha,alpha-trihalomethyl ketones under different reaction conditions. The formation of these divergent products involving featured C=C double bond cleavage requires no any metal reagent, and represents one more practical example on the synthesis of poly halogenated methyl ketones via the functionalization of carbon-carbon bond.

About Benzyl Alcohol, If you have any questions, you can contact Liu, YY; Xiong, J; Wei, L; Wan, JP or concate me.. Computed Properties of C7H8O

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Rodygin, KS; Lotsman, KA; Ananikov, VP in WILEY-V C H VERLAG GMBH published article about GREEN CHEMISTRY; SELECTIVE OXIDATION; ACETYLENE HYDRATION; ORGANIC-SYNTHESIS; HIGHLY EFFICIENT; ALDOL REACTION; LACTIC-ACID; ETHANOL; ALDEHYDES; CATALYST in [Rodygin, Konstantin S.; Lotsman, Kristina A.; Ananikov, Valentine P.] St Petersburg State Univ, Inst Chem, Univ Skiy Pr 26, St Petersburg 198504, Russia; [Rodygin, Konstantin S.; Ananikov, Valentine P.] ND Zelinskii Inst Organ Chem, Leninsky Pr 47, Moscow 119991, Russia in 2020.0, Cited 97.0. Formula: C7H8O. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

A vinylation/devinylation looping system for acetaldehyde manufacturing was evaluated. Vinylation of iso-butanol with calcium carbide under solvent-free conditions was combined with hydrolysis of the resulting iso-butyl vinyl ether under slightly acidic conditions. Acetaldehyde produced by hydrolysis was collected from the reaction mixture by simple distillation, and the remaining alcohol was redirected to the vinylation step. All the inorganic co-reagents can be looped as well, and the full sequence is totally sustainable. A complete acetaldehyde manufacturing cycle was proposed on the basis of the developed procedure. The cycle was fed with calcium carbide and produced the aldehyde as a single product in a total preparative yield of 97 %. No solvents, hydrocarbons, or metal catalysts were needed to maintain the cycle. As calcium carbide in principle can be synthesized from virtually any source of carbon, the developed technology represents an excellent example of biomass and waste conversion into a valuable industrial product.

Formula: C7H8O. About Benzyl Alcohol, If you have any questions, you can contact Rodygin, KS; Lotsman, KA; Ananikov, VP or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An article Rare-earth metal complexes derived from the acids Ph2C(X)CO2H (X=OH, NH2): Structural and ring opening polymerization (ROP) studies WOS:000598092500008 published article about SOLVENT-FREE CONDITIONS; SCHIFF-BASE LIGANDS; CHALLENGES; CATALYSIS; LACTIDES; IMIDO; OH in [Collins, Jack; Santoro, Orlando; Prior, Timothy J.; Redshaw, Carl] Univ Hull, Dept Chem & Biochem, Cottingham Rd, Kingston Upon Hull HU6 7RX, N Humberside, England; [Chen, Kai] Nanjing Univ Informat Sci & Technol, Sch Environm Sci & Engn, Jiangsu Key Lab Atmospher Environm Monitoring & P, Collaborat Innovat Ctr Atmospher Environm & Equip, Nanjing 210044, Peoples R China in 2021.0, Cited 44.0. Product Details of 100-51-6. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

Treatment of Ln(NO3)(3)center dot 6H(2)O (Ln = La, Ce) with an equimolar amount of 2,2′-diphenylglycine (DpgH) in ethanol afforded the corresponding hexacoordinated complexes (DpgH(+/-))(3)Ln(NO3)(3)center dot H2O (DpgH(+/-) = zwitterionic 2,2′-diphenylglycine, Ln = La (1), Ce (2)). The spectroscopic and structural features of these compounds have been investigated. Similar reactions with the related benzilic acid (BenzH(2)) were unsuccessful. The catalytic behaviour of 1 and 2 in the homo- and copolymerization of epsilon-caprolactone (epsilon-CL) and rac-lactide (r-LA) has been investigated herein. In the case of epsilon-CL, the two complexes exhibited comparable activity, allowing for complete monomer conversion under aerobic and solvent-free conditions at 150 degrees C in 24 h. With respect to the ROP of r-LA, 1 was found to be completely inactive, while only 8% conversion was achieved in the presence of 2. Liquid oligomers were isolated during epsilon-CL/r-LA copolymerization in the presence of both complexes. The catalytic activity of the pre-ligands DpgH and BenzH(2) (i.e. metal-free) was also examined. Interestingly, only BenzH(2) was found to be active, although it required a higher catalyst loading and the presence of benzyl alcohol as co-activator. (C) 2020 Elsevier B.V. All rights reserved.

Product Details of 100-51-6. About Benzyl Alcohol, If you have any questions, you can contact Collins, J; Santoro, O; Prior, TJ; Chen, K; Redshaw, C or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Recently I am researching about METAL-ORGANIC FRAMEWORK; WATER-ADSORPTION; EFFICIENT; ACIDS; MOFS, Saw an article supported by the . Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Munoz, A; Leo, P; Orcajo, G; Martinez, F; Calleja, G. The CAS is 99-93-4. Through research, I have a further understanding and discovery of 4′-Hydroxyacetophenone. HPLC of Formula: C8H8O2

Guillermo Calleja and co-workers from @urjc describe URJC-1-MOF as a new heterogeneous recyclable catalyst for c-heteroatom coupling reactions The capacity of copper-based URJC-1-MOF as a MOF catalyst in cross-coupling reactions has been evaluated, focusing on the Chan-Lam-Evans arylation-type reactions on amines and alcohols without extra additives or ligands. The extraordinary chemical and structural stability of URJC-1-MOF and its good specific surface, make this material a promising alternative to homogeneous Cu (II) catalysts for cross-coupling reactions. URJC-1-MOF showed a remarkable catalytic activity for cross-coupling C-N and C-O reactions, higher than other heterogeneous and homogeneous copper-based catalyst, such as CuO, HKUST-1, Cu-MOF-74, Cu(OAc)(2) and CuSO4.5H(2)O. Moreover, its easy recovery by simple filtration and reusability in successive runs without any loss of activity and stability, demonstrates the potential of URJC-1-MOF as an alternative catalyst for this kind of reactions in different chemical media of industrial interest.

HPLC of Formula: C8H8O2. About 4′-Hydroxyacetophenone, If you have any questions, you can contact Munoz, A; Leo, P; Orcajo, G; Martinez, F; Calleja, G or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Hosseini-Sarvari, M; Akrami, Z in ELSEVIER SCIENCE SA published article about GRAPHITIC CARBON NITRIDE; OXIDATION; ALKENES; NANOCOMPOSITE; EVOLUTION; CATALYSTS; STYRENE; DRIVEN; WATER; ZNO in [Hosseini-Sarvari, Mona; Akrami, Zahra] Shiraz Univ, Fac Sci, Dept Chem, Shiraz 7194684795, Iran in 2020.0, Cited 53.0. Formula: C8H8O2. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4

A selective, economical, and ecological protocol has been described for the oxidation of methyl arenes and their analogs to the corresponding carbonyl compounds and epoxidation reactions of alkenes with molecular oxygen (O-2) or air as a green oxygen source, under mild reaction conditions. The nano Ni/g-C3N4 exhibited high photocatalytic activity, stability, and selectivity in the C-H activation of methyl arenes, methylene arenes, and epoxidation of various alkenes under visible- light irradiation without the use of an oxidizing agent and under base free conditions. (C) 2020 Elsevier B.V. All rights reserved.

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Hosseini-Sarvari, M; Akrami, Z or concate me.. Formula: C8H8O2

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Chung, EP; Wells, AR; Kiamco, MM; Leung, KP in SPRINGER published article about DIFFERENTIATION; PROLIFERATION; DECREASES; MIGRATION; ADHESION; INSIGHTS; INJURY; SIZE in [Chung, Eugene P.; Wells, Adrienne R.; Kiamco, Mia Mae; Leung, Kai P.] US Army, Inst Surg Res, Combat Wound Repair Div, Jbsa Ft Sam Houston, TX 78234 USA in 2020.0, Cited 58.0. HPLC of Formula: C7H8O. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

This study used dual asymmetric centrifugation (DAC) to produce a topical vehicle for Pirfenidone (Pf; 5-methyl-1-phenyl-2[1H]-pyridone)-a Food and Drug Administration-approved antifibrotic drug indicated for idiopathic fibrosis treatment. Pf was loaded (8 wt%) in a poloxamer nanoemulsion gel (PNG) formulation consisting of water (47.8 wt%), triacetin (27.6 wt%), poloxamer 407 (P407, 13.8 wt%), polysorbate 80 (1.8 wt%), and benzyl alcohol (0.9 wt%). To our knowledge, poloxamer gels are typically processed with either high-shear methods or temperature regulation and have not been emulsified using DAC. Using a single-step emulsification process, 2 min mixed at 2500 RPM resulted in the lowest Pf loading variability with a relative standard deviation (RSD) of 0.96% for a 1.5 g batch size. Batch sizes of 15 g and 100 g yield higher RSD of 4.18% and 3.05%, respectively, but still in compliance with USP guidelines.Ex vivopermeation in full thickness porcine skin after 24 h showed total Pf permeation of 404.90 +/- 67.07 mu g/cm(2). Testedin vitroon human dermal fibroblasts stimulated with transforming growth factor-beta 1 (TGF-beta 1), Pf-PNG resulted in a > 2 fold decrease in alpha-SMA expression over vehicle control demonstrating that formulated Pf retained its biological activity. One-month stability testing at 25 degrees C/60% relative humidity (RH) and 40 degrees C/75% RH showed that % drug content, release kinetics, and biological activity were largely unchanged for both conditions; however, pH decreased from 6.7 to 5.5 (25 degrees C/60% RH) and 4.5 (40 degrees C/75% RH) after 1 month. Overall, these data demonstrate the utility of DAC to rapidly and reproducibly prepare lab-scale batches of emulsified gels for pharmaceutical formulation development.

HPLC of Formula: C7H8O. About Benzyl Alcohol, If you have any questions, you can contact Chung, EP; Wells, AR; Kiamco, MM; Leung, KP or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Gogoi, P; Shakya, A; Ghosh, SK; Gogoi, N; Gahtori, P; Singh, N; Bhattacharyya, DR; Singh, UP; Bhat, HR in WILEY published article about PLASMODIUM-FALCIPARUM; MALARIA PARASITES; CYANURIC CHLORIDE; DOCKING; RESISTANCE; DESIGN in [Gogoi, Pinku; Shakya, Anshul; Ghosh, Surajit K.; Gogoi, Neelutpal; Bhat, Hans R.] Dibrugarh Univ, Dept Pharmaceut Sci, Dibrugarh 786004, Assam, India; [Gahtori, Prashant; Singh, Nardev] Graph Era Hill Univ, Sch Pharm, Dehra Dun, Uttarakhand, India; [Bhattacharyya, Dibya R.] Indian Council Med Res ICMR, Reg Med Res Ctr, Dibrugarh, Assam, India; [Singh, Udaya P.] Sam Higginbottom Univ Agr Technol & Sci, Dept Pharmaceut Sci, Drug Design & Discovery Lab, Allahabad, Uttar Pradesh, India in 2021.0, Cited 25.0. Computed Properties of C8H8O2. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4

Malaria continues to become a major global health problem, particularly in Sub-Saharan Africa, Asia, and Latin America. The widespread emergence of resistance to first-line drugs has further bolstered an urgent need for a new and cost-effective antimalarial(s). Thus, the present study enumerates the synthesis of novel hybrid dimethoxy pyrazole 1,3,5-triazine derivatives 7(a-j) and their in silico results short-listed three compounds with good binding energies and dock scores. Docking analysis shows that hydrogen-bonding predominates and typically involves key residues, such as Asp54, Tyr170, Ile164, and Arg122. The in vitro antimalarial evaluation of three top-ranked compounds (7e, 7g, and 7h) showed half-maximal inhibitory concentration values range from 53.85 to 100 mu g/ml against chloroquine-sensitive strain 3D7 of Plasmodium falciparum. Compound 7e may be utilized as a lead for further optimization work in drug discovery due to good antimalarial activity.

Computed Properties of C8H8O2. About 4′-Hydroxyacetophenone, If you have any questions, you can contact Gogoi, P; Shakya, A; Ghosh, SK; Gogoi, N; Gahtori, P; Singh, N; Bhattacharyya, DR; Singh, UP; Bhat, HR or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Authors Liao, Y; Zhou, Y; Zhang, Z; Fan, JZ; Liu, F; Shi, ZJ in AMER CHEMICAL SOC published article about in [Liao, Yang; Fan, Junzhen; Liu, Feng; Shi, Zhangjie] Fudan Univ, Dept Chem, Shanghai 200438, Peoples R China; [Zhou, Yi; Zhang, Zhen; Liu, Feng] Shanghai Inst Technol, Sch Perfume & Aroma Technol, Shanghai 201418, Peoples R China; [Shi, Zhangjie] Shanghai Inst Organ Chem, State Key Lab Organometall Chem, Shanghai 200032, Peoples R China in 2021, Cited 100. Computed Properties of C7H8O2. The Name is Mequinol. Through research, I have a further understanding and discovery of 150-76-5

Direct oxidative coupling of different inert C-H bonds is the most straightforward and environmentally benign method to construct C-C bonds. In this paper, we developed a Pd-catalyzed intramolecular oxidative coupling between unactivated aliphatic and aryl C-H bonds. This chemistry showed great potential to build up fused cyclic scaffolds from linear substrates through oxidative couplings. Privileged chromane and tetralin scaffolds were constructed from readily available linear starting materials in the absence of any organohalides and organometallic partners.

Computed Properties of C7H8O2. About Mequinol, If you have any questions, you can contact Liao, Y; Zhou, Y; Zhang, Z; Fan, JZ; Liu, F; Shi, ZJ or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Name: 3-Hydroxybenzaldehyde. In 2020.0 CHEM ENG SCI published article about DYNAMIC KINETIC RESOLUTION; ESCHERICHIA-COLI; SUBSTRATE; MECHANISM in [Wang, Li-Chao; Xu, Lian; Su, Bing-Mei; Lin, Juan] Fuzhou Univ, Coll Chem Engn, Fuzhou 350116, Peoples R China; [Wang, Li-Chao; Xu, Lian; Xu, Xin-Qi; Su, Bing-Mei; Lin, Juan] Fuzhou Univ, Coll Biol Sci & Engn, Fuzhou 350116, Peoples R China in 2020.0, Cited 33.0. The Name is 3-Hydroxybenzaldehyde. Through research, I have a further understanding and discovery of 100-83-4.

L-threonine aldolase (LTA) is a PLP-dependent enzyme that can reversibly catalyze aldol reaction of glycine and acetaldehyde to produce beta-hydroxy-alpha-amino acids. In the present work, a putative Ita gene from Actinocorallia herbida (AhLTA) was mined and over-expressed in Escherichia coli BL21 (DE3). The substrate spectrum assay indicated that AhLTA only used glycine as donor substrate and tolerated a wild range of aromatic aldehydes as acceptor substrates. It was found that the type and position of substituents in the aromatic aldehydes exerted a significant impact on the activity and stereoselectivity at beta-carbon of AhLTA. Among those substrates, AhLTA could catalyze glycine and 4-methylsulphonyl benzaldehyde (14a) to produce L-threo-4-methylsulfonylphenylserine ((2S,3R)-14b) with high conversion (94.4%) and moderate stereoselectivity (19% de). By conditional optimization, the de value of (2S, 3R)-14b was improved to 61% and the conversion was 75%. Taken together, our study suggested that AhLTA might be a promising catalyst for producing chiral beta-hydroxy-alpha-amino acids. (C) 2020 Elsevier Ltd. All rights reserved.

Name: 3-Hydroxybenzaldehyde. About 3-Hydroxybenzaldehyde, If you have any questions, you can contact Wang, LC; Xu, L; Xu, XQ; Su, BM; Lin, J or concate me.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles