130922-39-3

Basic information

• Product Name: Benzenethiol, 2,3-difluoro- (9CI)
• Synonyms: Benzenethiol, 2,3-difluoro- (9CI);2,3-Difluorothiophenol;2,3-Difluorobenzenethiol
• CAS NO: 130922-39-3
• Molecular Formula: C₆H₄F₂S
• Molecular Weight: 146.1577664
• Product Categories: HALIDE
• Mol File: 130922-39-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenethiol, 2,3-difluoro- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenethiol, 2,3-difluoro- (9CI)(130922-39-3)
• EPA Substance Registry System: Benzenethiol, 2,3-difluoro- (9CI)(130922-39-3)

Safety Data

• Hazardous Substances Data: 130922-39-3(Hazardous Substances Data)

Usage

General Description

"Benzenethiol, 2,3-difluoro- (9CI)" is a specific type of organic compound, classified under the broader category of benzenethiols. The "2,3-difluoro-" indicates that two fluorine atoms are situated in the 2nd and 3rd position of the benzenethiol molecule. "9CI" denotes that this particular structure of the chemical is referenced in the ninth collective index, a comprehensive and ongoing documentation of chemical compounds. Benzenethiol, 2,3-difluoro- (9CI) is generally used in chemical and pharmaceutical industries, although information specific to its usage or potential hazards is scarce, suggesting it is likely a specialized chemical for certain applications or research.

Upstream product

• 1028843-09-5 dimethyl-thiocarbamic acid O-(2,3-difluoro-phenyl) ester 
• 6418-38-8 2,3-difluorophenol 
• 1028843-10-8 dimethyl-thiocarbamic acid S-(2,3-difluoro-phenyl) ester 

Downstream Products

• 1028843-08-4 methyl 4-((2,3-difluorophenyl)thio)-3-oxobutanoate 
• 1029520-80-6 2-benzyl-5-(((2,3-difluorophenyl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 
• 1029520-84-0 2-methyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 
• 1029520-87-3 2-isopropyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 
• 1029520-92-0 2-cyclohexyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 
• 1029520-91-9 2-phenyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 
• 1029520-90-8 2-phenethyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol 
• 1028842-47-8 5-(2,3-difluoro-phenylsulfanylmethyl)-2-furan-2-yl-pyrazolo[1,5-a]pyrimidin-7-ol 
• 1028842-42-3 5-(2,3-difluoro-phenylsulfanylmethyl)-2-pyridin-2-yl-pyrazolo[1,5-a]pyrimidin-7-ol 
• 1028842-58-1 5-(2,3-difluoro-phenylsulfanylmethyl)-2-(3-methyl-furan-2-yl)-pyrazolo[1,5-a]pyrimidin-7-ol 
• 1028842-76-3 2-(2,3-difluoro-phenylsulfanylmethyl)-7,8,9,10-tetrahydro-pyrimido[1,2-b]indazol-4-ol 
• 1028842-48-9 2-(2,3-difluoro-phenylsulfanylmethyl)-pyrimido[1,2-b]indazol-4-ol 
• 1028842-06-9 5-(2,3-difluoro-phenylsulfanylmethyl)-pyrazolo[1,5-a]pyrimidin-7-ol 
• 1028842-21-8 5-(2,3-difluoro-phenylsulfanylmethyl)-3-cyano-pyrazolo[1,5-a]pyrimidin-7-ol 

Relevant articles and documents

The discovery of potent, orally bioavailable pyrazolo and triazolopyrimidine CXCR2 receptor antagonists

A hit-to-lead optimisation programme was carried out on the Novartis archive screening hit, pyrazolopyrimidine 2-methyl-5-((phenylthio)methyl) pyrazolo[1,5-a]pyrimidin-7-ol 1, resulting in the discovery of CXCR2 receptor antagonist 2-benzyl-5-(((2,3-difluorophenyl)thio)methyl)-[1,2,4]triazolo[1,5-a] pyrimidin-7-ol 14. The SAR was investigated by systematic variation of the pendant thiol, alkyl and pyrimidinol groups. Replacement of the pyrazolopyrimidine core with a triazolo alternative led to a dual series of antagonists with favourable biological and pharmacokinetic properties.

5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS

The present invention relates to compounds of formula (I) and the use of these compounds as pharmaceuticals, e.g. in preventing or treating a CXCR2 receptor mediated condition or disease.