76041-72-0

Basic information

• Product Name: 2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE
• Synonyms: BUTTPARK 45\03-87;5-TRIFLUOROMETHYL-2-MERCAPTOPYRIDINE;5-(TRIFLUOROMETHYL)PYRIDIN-2-THIOL;5-(TRIFLUOROMETHYL)PYRIDINE-2-THIOL;2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE;2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE 95+%;5-(trifluoromethyl)-2-pyridinethiol;5-(Trifluoromethyl)pyridine-2-thiol 95%
• CAS NO: 76041-72-0
• Molecular Formula: C₆H₄F₃NS
• Molecular Weight: 179.16
• EINECS: 1533716-785-6
• Product Categories: Pyridine series;Pyridine;Aromatics;Bases & Related Reagents;Heterocycles;Nucleotides;Sulfur & Selenium Compounds
• Mol File: 76041-72-0.mol
• Article Data: 7

Chemical Properties

• Melting Point: 154-159 °C(lit.)
• Boiling Point: 143.5 °C at 760 mmHg
• Flash Point: 40.6 °C
• Appearance: /
• Density: 1.43 g/cm³
• Vapor Pressure: 0.019mmHg at 25°C
• Refractive Index: 1.505
• Storage Temp.: 2-8°C
• Solubility: soluble in Methanol
• PKA: 8.33±0.40(Predicted)
• CAS DataBase Reference: 2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE(76041-72-0)
• EPA Substance Registry System: 2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE(76041-72-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 76041-72-0(Hazardous Substances Data)

Usage

Chemical Properties

2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE is Yellow Crystalline Solid

Uses

Different sources of media describe the Uses of 76041-72-0 differently. You can refer to the following data:
1. Reactant used to synthesize anti-tumor agents and HIV protease inhibitors.
2. 2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE Reactants used to synthesize anti-tumor agents and HIV protease inhibitors.

InChI:InChI=1/C6H3BrF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

Upstream product

• 69045-82-5 2-fluoro-5-(trifluoromethyl)pyridine 
• 33252-63-0 2-hydroxy-5-(trifluoromethyl)pyridine 
• 69045-78-9 2-chloro-5-(Trichloromethyl)-pyridine 
• 52334-81-3 2-chloro-5-trifluoromethylpyridine 

Downstream Products

• 142274-35-9 (5-trifluoromethylpyridin-2-ylsulphanyl)-acetic acid methyl ester 
• 174485-72-4 5-trifluoromethyl-pyridin-2-ylsulfonylchloride 
• 261709-55-1 toluene-4-thiosulfonic acid S-[2-tert-butyl-4-(5-trifluoromethyl-2-pyridinesulfonylamino)-5-methylphenyl] ester 
• 263842-78-0 5-trifluoromethyl-pyridine-2-sulfonic acid [5-tert-butyl-4-(4-hydroxy-6-isopropyl-2-oxo-6-phenethyl-5,6-dihydro-2H-pyran-3-ylsulfanyl)-2-methyl-phenyl]-amide 
• 263842-78-0 (S)-5-trifluoromethylpyridine-2-sulfonic acid [5-tert-butyl-4-(4-hydroxy-6-isopropyl-2-oxo-6-phenethyl-5,6-dihydro-2H-pyran-3-ylsulfanyl)-2-methylphenyl]-amide 
• 263842-78-0 (R)-5-trifluoromethylpyridine-2-sulfonic acid [5-tert-butyl-4-(4-hydroxy-6-isopropyl-2-oxo-6-phenethyl-5,6-dihydro-2H-pyran-3-ylsulfanyl)-2-methylphenyl]-amide 
• 263842-59-7 (S)-N-(5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methylphenyl)-2-(5-trifluoromethylpyridine)sulfonamide 
• 263842-59-7 (R)-N-(5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methylphenyl)-2-(5-trifluoromethylpyridine)sulfonamide 
• 263842-59-7 5-trifluoromethyl-pyridine-2-sulfonic acid (5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl)-amide 
• 1219036-57-3 CF₃O₃S^(1-)*C₂₁H₃₁F₃N₃O⁽¹⁺⁾ 
• 1268698-59-4 C₁₄H₆F₃N₃S 
• 105626-77-5 2-phenoxy-5-(trifluoromethyl)pyridine 

Relevant articles and documents

Silver-induced self-immolative Cl-F exchange fluorination of arylsulfur chlorotetrafluorides: Synthesis of arylsulfur pentafluorides

A novel strategy for the synthesis of arylsulfur pentafluorides by silver carbonate-induced Cl-F exchange fluorination of arylsulfur chlorotetrafluorides is reported. This fluorination does not require any exogenous fluoride sources. Rather, the reaction proceeds via the self-immolation of the substrate Ar-SF4Cl.

Synthesis and characterization of 2-pyridylsulfur pentafluorides

Current approaches to prepare SF5-substituted heterocycles during the synthesis of targeted heterocyclic compounds require the use of SF5-functionalized aryl or alkyne reagents or SF5Cl as a source of the SF5 functional group. Herein we report that excess oxidative fluorination of 2,2' -dipyridyl disulfide with a KF/Cl2 /MeCN system leads to the formation of thirteen new 2-pyridylsulfur chlorotetrafluorides (2-SF4Cl-pyridines). These molecules are found to undergo further chlorine-fluorine exchange reactions by treatment with silver(I) fluoride enabling ready access to a series of ten new substituted 2-pyridylsulfur pentafluorides (2-SF5-pyridines). This is the first preparatively simple and readily scalable example of the transformation of an existing heterocyclic sulfur functionality to prepare SF5-substituted heterocycles.

BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE

The present invention provides a novel benzazepine derivative represented by formula : wherein, R1 is a 5- or 6-membered aromatic ring, R2 is lower alkyl group, etc., Y is an optionally substituted imino group, ring A and ring B are independently an optionally substituted aromatic ring, W is formula -W1-X2-W2- (W1 and W2 are independently S(O)m1 (m1 is 0, 1 or 2), etc., and X2 is an optionally substituted alkylene groupetc. ), a preparation method and use thereof.