177787-26-7

Basic information

• Product Name: 3,4,5-TRIFLUOROBENZOYL CHLORIDE
• Synonyms: 3,4,5-TRIFLUOROBENZOYL CHLORIDE;Benzoyl chloride, 3,4,5-trifluoro- (9CI);3,4,5-Trifluorobenzoyl chloride 97%;3,4,5-Trifluorobenzoyl chloride;Benzoyl chloride,3,4,5-trifluoro-
• CAS NO: 177787-26-7
• Molecular Formula: C₇H₂ClF₃O
• Molecular Weight: 194.54
• Product Categories: ACIDHALIDE;Fluorine series
• Mol File: 177787-26-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 122-123℃
• Boiling Point: 173-174 °C(lit.)
• Flash Point: 154 °F
• Appearance: /
• Density: 1.4850 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.722mmHg at 25°C
• Refractive Index: n20/D 1.4900(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive: Lachrymatory
• CAS DataBase Reference: 3,4,5-TRIFLUOROBENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-TRIFLUOROBENZOYL CHLORIDE(177787-26-7)
• EPA Substance Registry System: 3,4,5-TRIFLUOROBENZOYL CHLORIDE(177787-26-7)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 177787-26-7(Hazardous Substances Data)

Usage

Description

3,4,5-Trifluorobenzoyl chloride is an organic compound with the chemical formula C7H2ClF3O. It is an off-white powder and is commonly used as a reactant in the synthesis of various organic compounds.

Uses

Used in Pharmaceutical Industry:
3,4,5-Trifluorobenzoyl chloride is used as a reactant for the synthesis of 3,4,5-trifluoro-N-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-N-pyridin-2-ylbenzamide, which is a compound with potential pharmaceutical applications. The trifluorobenzoyl chloride serves as a key building block in the creation of this molecule, contributing to its overall structure and properties.

InChI:InChI=1/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H

Upstream product

• 121602-93-5 3,4,5-trifluorobenzoic acid 
• 79-37-8 oxalyl dichloride 
• 773873-72-6 methyl 3,4,5-trifluorobenzoate 

Downstream Products

• 863562-09-8 tert-butyl 3,4,5-trifluorobenzoate 
• 863562-22-5 tert-butyl 4-(bis(2-bromoethyl)amino)-3,5-difluorobenzoate 
• 863562-18-9 tert-butyl 4-(bis(2-chloroethyl)amino)-3,5-difluorobenzoate 
• 863562-12-3 tert-butyl 4-[bis(2-hydroxyethyl)amino]-3,5-difluorobenzoate 
• 863562-27-0 4-[bis-(2-iodo-ethyl)-amino]-3,5-difluoro-benzoic acid tert-butyl ester 
• 288157-64-2 4-[3-(3,4,5-trifluorobenzamidyl)benzoyl]-1-methylpiperidine 
• 570407-87-3 3,4,5-trifluorobenzoic acid 2-tert-butoxyethyl ester 
• 1342424-26-3 C₁₀H₉F₃O₃ 
• 1274669-24-7 3,4,5-trifluoro-N-phenylbenzamide 
• 209540-87-4 5-(3',4',5'-trifluorobenzoylamino)fluorescein 

Relevant articles and documents

Structural Basis for Achieving GSK-3β Inhibition with High Potency, Selectivity, and Brain Exposure for Positron Emission Tomography Imaging and Drug Discovery

Using structure-guided design, several cell based assays, and microdosed positron emission tomography (PET) imaging, we identified a series of highly potent, selective, and brain-penetrant oxazole-4-carboxamide-based inhibitors of glycogen synthase kinase-3 (GSK-3). An isotopologue of our first-generation lead, [3H]PF-367, demonstrates selective and specific target engagement in vitro, irrespective of the activation state. We discovered substantial ubiquitous GSK-3-specific radioligand binding in Tg2576 Alzheimer's disease (AD), suggesting application for these compounds in AD diagnosis and identified [11C]OCM-44 as our lead GSK-3 radiotracer, with optimized brain uptake by PET imaging in nonhuman primates. GSK-3β-isozyme selectivity was assessed to reveal OCM-51, the most potent (IC50 = 0.030 nM) and selective (>10-fold GSK-3β/GSK-3α) GSK-3β inhibitor known to date. Inhibition of CRMP2T514 and tau phosphorylation, as well as favorable therapeutic window against WNT/β-catenin signaling activation, was observed in cells.

SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF

This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject=s depression and/or anxiety. This invention further provides a method of treating a subject suffering from a urinary disorder.

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.