Category: 98-17-9

Product Details of 98-17-9. Authors Mollasalehi, N; Francois-Moutal, L; Scott, DD; Tello, JA; Williams, H; Mahoney, B; Carlson, JM; Dong, Y; Li, XL; Miranda, VG; Gokhale, V; Wang, W; Barmada, SJ; Khanna, M in AMER CHEMICAL SOC published article about in [Mollasalehi, Niloufar; Francois-Moutal, Liberty; Scott, David D.; Tello, Judith A.; Williams, Haley; Carlson, Jacob M.; Miranda, Victor G.; Khanna, May] Univ Arizona, Coll Med, Dept Pharmacol, Tucson, AZ 85724 USA; [Mollasalehi, Niloufar; Francois-Moutal, Liberty; Scott, David D.; Tello, Judith A.; Williams, Haley; Carlson, Jacob M.; Miranda, Victor G.; Khanna, May] Ctr Innovat Brain Sci, Tucson, AZ 85721 USA; [Mollasalehi, Niloufar] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA; [Mahoney, Brendan] Univ Calif Los Angeles UCLA, Dept Chem & Biochem, Los Angeles, CA 90095 USA; [Dong, Yue; Wang, Wei] Univ Arizona, Coll Pharm, Arizona Ctr Drug Discovery, Tucson, AZ 85721 USA; [Dong, Yue; Wang, Wei] Univ Arizona, Coll Pharm, Pharmacol & Toxicol Dept, Tucson, AZ 85721 USA; [Li, Xingli; Barmada, Sami J.] Univ Michigan Hlth Syst, Dept Neurol, Ann Arbor, MI 48109 USA; [Gokhale, Vijay] Univ Arizona, Bio5 Inst, Tucson, AZ 85721 USA in 2020, Cited 23. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

In this study, we targeted the N-terminal domain (NTD) of transactive response (TAR) DNA binding protein (TDP-43), which is implicated in several neurodegenerative diseases. In silico docking of 50K compounds to the NTD domain of TDP-43 identified a small molecule (nTRD22) that is bound to the N-terminal domain. Interestingly, nTRD22 caused allosteric modulation of the RNA binding domain (RRM) of TDP-43, resulting in decreased binding to RNA in vitro. Moreover, incubation of primary motor neurons with nTRD22 induced a reduction of TDP-43 protein levels, similar to TDP-43 RNA binding-deficient mutants and supporting a disruption of TDP43 binding to RNA. Finally, nTRD22 mitigated motor impairment in a Drosophila model of amyotrophic lateral sclerosis. Our findings provide an exciting way of allosteric modulation of the RNA-binding region of TDP-43 through the N-terminal domain.

Product Details of 98-17-9. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Mollasalehi, N; Francois-Moutal, L; Scott, DD; Tello, JA; Williams, H; Mahoney, B; Carlson, JM; Dong, Y; Li, XL; Miranda, VG; Gokhale, V; Wang, W; Barmada, SJ; Khanna, M 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 Taira, J; Umei, T; Inoue, K; Kitamura, M; Berenger, F; Sacchettini, JC; Sakamoto, H; Aoki, S in NATURE PUBLISHING GROUP published article about GENETIC ALGORITHM; IDENTIFICATION; TUBERCULOSIS; TARGET in [Taira, Junichi; Umei, Tomohiro; Inoue, Keitaro; Berenger, Francois; Sakamoto, Hiroshi; Aoki, Shunsuke] Kyushu Inst Technol, Grad Sch Comp Sci & Syst Engn, Dept Biosci & Bioinformat, Iizuka, Fukuoka 8208502, Japan; [Kitamura, Mitsuru] Kyushu Inst Technol, Dept Appl Chem, 1-1 Sensui Cho, Kitakyushu, Fukuoka 8048550, Japan; [Sacchettini, James C.] Texas A&M Univ, Dept Biochem & Biophys, College Stn, TX 77843 USA in , Cited 31. Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

InhA or enoyl-acyl carrier protein reductase of Mycobacterium tuberculosis (mtInhA), which controls mycobacterial cell wall construction, has been targeted in the development of antituberculosis drugs. Previously, our in silico structure-based drug screening study identified a novel class of compounds (designated KES4), which is capable of inhibiting the enzymatic activity of mtInhA, as well as mycobacterial growth. The compounds are composed of four ring structures (A-D), and the MD simulation predicted specific interactions with mtInhA of the D-ring and methylene group between the B-ring and C-ring; however, there is still room for improvement in the A-ring structure. In this study, a structure-activity relationship study of the A-ring was attempted with the assistance of in silico docking simulations. In brief, the virtual chemical library of A-ring-modified KES4 was constructed and subjected to in silico docking simulation against mtInhA using the GOLD program. Among the selected candidates, we achieved synthesis of seven compounds, and the bioactivities (effects on InhA activity and mycobacterial growth and cytotoxicity) of the synthesized molecules were evaluated. Among the compounds tested, two candidates (compounds 3d and 3f) exhibited superior properties as mtInhA-targeted anti-infectives for mycobacteria than the lead compound KES4.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Taira, J; Umei, T; Inoue, K; Kitamura, M; Berenger, F; Sacchettini, JC; Sakamoto, H; Aoki, S or concate me.. Formula: C7H5F3O

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 Regioselective Monobromination of Phenols with KBr and ZnAl-BrO3–Layered Double Hydroxides WOS:000522454500150 published article about N-BROMOSUCCINIMIDE NBS; AROMATIC-COMPOUNDS; OXIDATIVE BROMINATION; SELECTIVE MONOBROMINATION; SUBSTITUTED PHENOLS; EFFICIENT SYNTHESIS; MILD; BROMIDE; ACID; ANILINES in [Wang, Ligeng; Feng, Chun; Zhang, Yan; Hu, Jun] Zhejiang Univ Technol, Coll Chem Engn, Hangzhou 310004, Peoples R China in 2020, Cited 69. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Computed Properties of C7H5F3O

The regioselective mono-bromination of phenols has been successfully developed with KBr and ZnAl-BrO3–layered double hydroxides (abbreviated as ZnAl-BrO3–LDHs) as brominating reagents. The para site is much favorable and the ortho site takes the priority if para site is occupied. This reaction featured with excellent regioselectivity, cheap brominating reagents, mild reaction condition, high atom economy, broad substrate scope, and provided an efficient method to synthesize bromophenols.

Computed Properties of C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Wang, LG; Feng, C; Zhang, Y; Hu, 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

An article Sequential Functionalization of meta-C-H and ipso-C-O Bonds of Phenols WOS:000458348300019 published article about NICKEL-CATALYZED AMINATION; ARYL 2-PYRIDYL ETHERS; ARENES; ACTIVATION; BORYLATION; OLEFINATION; ARYLATION; LIGAND; ALKYLATION; CLEAVAGE in [Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong] Nankai Univ, Coll Chem, State Key Lab, Tianjin 300071, Peoples R China; [Xu, Jiancong; Chen, Jingjing; Gao, Feng; Xie, Shuguang; Xu, Xiaohua; Jin, Zhong] Nankai Univ, Coll Chem, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China; [Xu, Xiaohua; Jin, Zhong] Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Tianjin 300071, Peoples R China; [Yu, Jin-Quan] Scripps Res Inst, Dept Chem, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA in 2019, Cited 48. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. COA of Formula: C7H5F3O

The use of a template as a linchpin motif in directed remote C-H functionalization is a versatile yet relatively underexplored strategy. We have developed a template-directed approach to realizing one-pot sequential palladium-catalyzed meta-selective C-H olefination of phenols, and nickel-catalyzed ipso-C-O activation and arylation. Thus, this bifunctional template converts phenols to synthetically useful 1,3-disubstituted arenes.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Xu, JC; Chen, JJ; Gao, F; Xie, SG; Xu, XH; Jin, Z; Yu, JQ or concate me.. COA of Formula: C7H5F3O

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 Ding, AS; Zhang, YB; Chen, Y; Rios, R; Hu, JH; Guo, H in PERGAMON-ELSEVIER SCIENCE LTD published article about ARYLBORONIC ACIDS; IPSO-HYDROXYLATION; HETEROGENEOUS CATALYST; PHOTOREDOX CATALYSIS; EFFICIENT SYNTHESIS; ORGANIC FRAMEWORK; ROOM-TEMPERATURE; BOND-CLEAVAGE; PHENOLS; METAL in [Ding, Aishun; Chen, Yang; Hu, Jianhua] Fudan Univ, State Key Lab Mol Engn Polymers, Shanghai 200433, Peoples R China; [Ding, Aishun; Chen, Yang; Hu, Jianhua] Fudan Univ, Dept Macromol Sci, Shanghai 200433, Peoples R China; [Zhang, Yanbin; Guo, Hao] Fudan Univ, Dept Chem, 2005 Songhu Rd, Shanghai 200438, Peoples R China; [Guo, Hao] Fudan Univ, Acad Engn & Technol, 220 Handan Rd, Shanghai 200433, Peoples R China; [Rios, Ramon] Univ Southampton, Sch Chem, Southampton SO17 1BJ, Hants, England in 2019, Cited 52. Safety of 3-(Trifluoromethyl)phenol. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

We report herein a visible light-induced aerobic oxidative hydroxylation of boronic acids. The reaction employed 7H-benzo[c]thioxanthen-7-one as metal-free catalyst and dimethyl carbonate as green solvent. Scale-up experiment was achieved using 0.1 mol% catalyst in a good yield with column-free purification. This reaction showed great green chemistry features and potential in synthetic applications. (C) 2019 Elsevier Ltd. All rights reserved.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Ding, AS; Zhang, YB; Chen, Y; Rios, R; Hu, JH; Guo, H or concate me.. Safety of 3-(Trifluoromethyl)phenol

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 Yamaguchi, M; Hagiwara, R; Gayama, K; Suzuki, K; Sato, Y; Konishi, H; Manabe, K in AMER CHEMICAL SOC published article about C-H ARYLATION; PHOSPHINE-LIGANDS; METAL; AMINATION; INHIBITORS; NUCLEUS; FUNCTIONALIZATION; DEAROMATIZATION; DERIVATIVES; CYCLIZATION in [Yamaguchi, Miyuki; Hagiwara, Ryoya; Gayama, Kanami; Suzuki, Kohei; Sato, Yusuke; Konishi, Hideyuki; Manabe, Kei] Univ Shizuoka, Sch Pharmaceut Sci, Shizuoka 4228526, Japan in 2020, Cited 87. Recommanded Product: 3-(Trifluoromethyl)phenol. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

A palladium-dihydroxyterphenylphosphine (DHTP) catalyst was successfully applied to the direct C3-arylation of N-unsubstituted indoles with aryl chlorides, triflates, and nonaflates. This catalyst showed C3-selectivity, whereas catalysts with other structurally related ligands exhibited N1-selectivity. Complex formation between the lithium salts of the ligand and the indole is assumed to accelerate the arylation at the C3 position. Reactions using 3-alkylindoles afforded 3,3-disubstituted indolenines, which can be further converted to the corresponding indoline derivatives.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Yamaguchi, M; Hagiwara, R; Gayama, K; Suzuki, K; Sato, Y; Konishi, H; Manabe, K or concate me.. Recommanded Product: 3-(Trifluoromethyl)phenol

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 Identification of 3-(trifluoromethyl)phenol as the malodorous compound in a pollution incident in the water supply in Catalonia (NE Spain) WOS:000468977800027 published article about ODOR THRESHOLD CONCENTRATIONS; TASTE; EVENTS; PERCEPTION; PANEL in [Quintana, Jordi; Hernandez, Alejandra; Devesa, Ricard; Rosa Boleda, Maria] Aigues Barcelona, Empresa Metropolitana Gestio Cicle Integral Aigua, Gen Batet 1-7, Barcelona 08028, Spain; [Ventura, Francesc] Spanish Council Sci Res IDAEA CSIC, Dept Environm Chem, Inst Environm Assessment & Water Res, Jordi Girona 18, Barcelona 08034, Spain in 2019, Cited 37. Category: indole-building-block. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

A study of organic compounds that caused a serious taste and odor episode of water supply in two residential areas in Catalonia (N.E. Spain) was carried out. Sweet and paint/solvent odor were the main descriptors used by consumers. Some cases of sickness and nausea were also associated with drinking water consumption by the consumers. Closed-loop stripping analysis (CLSA) combined with sensory gas chromatography and gas chromatography mass spectrometry detection were used to study the problem. As a result, 3-(trifluoromethyl)phenol (CAS number 98-17-9) was for the first time identified as a responsible of an odor incident in drinking water. Concentration levels of this compound were up to 17,000ng/L in groundwater and up to 600ng/L in distributed water. Odor threshold in water for 3-(trifluoromethyl)phenol was determined as 13ng/L (45 degrees C).

Category: indole-building-block. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Quintana, J; Hernandez, A; Ventura, F; Devesa, R; Boleda, MR 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

Application In Synthesis of 3-(Trifluoromethyl)phenol. Recently I am researching about NICKEL-CATALYZED AMINATION; ARYL 2-PYRIDYL ETHERS; ARENES; ACTIVATION; BORYLATION; OLEFINATION; ARYLATION; LIGAND; ALKYLATION; CLEAVAGE, Saw an article supported by the NSF of ChinaNational Natural Science Foundation of China (NSFC) [20502012, 21172111, 21672116]; NIH ((National Institute of General Medical Sciences))United States Department of Health & Human ServicesNational Institutes of Health (NIH) – USANIH National Institute of General Medical Sciences (NIGMS) [5R01GM102265]; NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCESUnited States Department of Health & Human ServicesNational Institutes of Health (NIH) – USANIH National Institute of General Medical Sciences (NIGMS) [R01GM102265] Funding Source: NIH RePORTER. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Xu, JC; Chen, JJ; Gao, F; Xie, SG; Xu, XH; Jin, Z; Yu, JQ. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol

The use of a template as a linchpin motif in directed remote C-H functionalization is a versatile yet relatively underexplored strategy. We have developed a template-directed approach to realizing one-pot sequential palladium-catalyzed meta-selective C-H olefination of phenols, and nickel-catalyzed ipso-C-O activation and arylation. Thus, this bifunctional template converts phenols to synthetically useful 1,3-disubstituted arenes.

Application In Synthesis of 3-(Trifluoromethyl)phenol. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Xu, JC; Chen, JJ; Gao, F; Xie, SG; Xu, XH; Jin, Z; Yu, JQ 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 Nevesely, T; Daniliuc, CG; Gilmour, R in AMER CHEMICAL SOC published article about Z ISOMERIZATION; ATOM ECONOMY; IONIC LIQUID; COUMARINS; BIOSYNTHESIS; DERIVATIVES; ALKYNOATES in [Nevesely, Tomas; Daniliuc, Constantin G.; Gilmour, Ryan] Westfalische Wilhelms Univ Munster, Inst Organ Chem, Corrensstr 40, D-48149 Munster, Germany in 2019, Cited 38. HPLC of Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

An operationally simple one-pot protocol has been developed to enable the conversion of diversely substituted cinnamic acid derivatives into angularly-fused dihydrocoumarins (up to 94%). Inspired by coumarin biosynthesis, this reaction cascade harnesses photochemical E -> Z alkene isomerization enabled by energy transfer catalysis using inexpensive thioxanthen-9-one (TX) under irradiation at 402 nm. Subsequent lactonization generates the heterocyclic core prior to a second photosensitization event to induce a [2 + 2] cycloaddition, again mediated by TX. The tetracyclic products are generated efficiently, and proof of the structure was established by X-ray crystallography. Mechanistic investigations, including structural probes and NMR reaction monitoring, support the postulated order of events. The study underscores the synthetic value of inexpensive small-molecule organic photocatalysts in the generation of structural complexity via sequential pi-bond activation.

HPLC of Formula: C7H5F3O. About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Nevesely, T; Daniliuc, CG; Gilmour, R 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

Verma, PK; Prasad, KS; Varghese, D; Geetharani, K in [Verma, Piyush Kumar; Prasad, K. Sujit; Varghese, Dominic; Geetharani, K.] Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India published Cobalt(I)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in 2020, Cited 61. Product Details of 98-17-9. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9.

A cobalt-complex-catalyzed borylation of a wide range of alkyl halides with a diboron reagent (B(2)pin(2) or B(2 )neop(2)) has been developed under mild reaction conditions, demonstrating the first cobalt-mediated cross-coupling with alkyl electrophiles. This protocol allows alkyl boronic esters to be accessed from alkyl halides, including alkyl chlorides, which were used rarely as coupling partners. Mechanistic studies reveal the possible involvement of an alkyl radical intermediate in this cobalt-mediated catalytic cycle.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Verma, PK; Prasad, KS; Varghese, D; Geetharani, K or concate me.. Product Details of 98-17-9

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