104040-74-6

Basic information

• Product Name: 3-(Trifluoromethyl)pyridine-2-thiol
• Synonyms: BUTTPARK 45\03-86;2-MERCAPTO-3-(TRIFLUOROMETHYL)PYRIDINE;3-(Trifluoromethyl)pyridine-2-thiol;3-(trifluoromethyl)-2-pyridinethiol;3-(Trifluoromethyl)-2(1H)-pyridinethione;3-(Trifluoromethyl)pyridine-2(1H)-thione;3-(trifluoroMethyl)pyridin-2-thiol;2(1H)-Pyridinethione, 3-(trifluoroMethyl)-
• CAS NO: 104040-74-6
• Molecular Formula: C₆H₄F₃NS
• Molecular Weight: 179.16
• EINECS: 1533716-785-6
• Product Categories: Pyridines
• Mol File: 104040-74-6.mol

Chemical Properties

• Melting Point: 180 °C
• Boiling Point: 202.249 °C at 760 mmHg
• Flash Point: 76.118 °C
• Appearance: /
• Density: 1.391 g/cm³
• Vapor Pressure: 4.9mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 8.33±0.40(Predicted)
• CAS DataBase Reference: 3-(Trifluoromethyl)pyridine-2-thiol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Trifluoromethyl)pyridine-2-thiol(104040-74-6)
• EPA Substance Registry System: 3-(Trifluoromethyl)pyridine-2-thiol(104040-74-6)

Safety Data

• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38-36-25
• Safety Statements: 22-24/25-45-26
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 104040-74-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-(Trifluoromethyl)pyridine-2-thiol is used as a reagent in organic synthesis for its unique reactivity, enabling the formation of various organic compounds with potential applications in different industries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-(Trifluoromethyl)pyridine-2-thiol is used as a key intermediate in drug development. Its unique properties allow for the creation of new pharmaceutical compounds with potential therapeutic effects.
Used as a Building Block:
3-(Trifluoromethyl)pyridine-2-thiol is utilized as a building block in the preparation of other organic compounds, contributing to the synthesis of complex molecules with specific functions and applications in various fields.

InChI:InChI=1/C6H4F3NS/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11)

Upstream product

• 65753-47-1 2-chloro-3-trifluoromethyl-pyridine 
• 22245-83-6 3-(trifluoromethyl)pyridine-2-(1H)-one 
• 183610-70-0 2-amino-3-trifluoromethylpyridine 

Downstream Products

• 110694-72-9 (R)_S-menthyl 3-(3-trifluoromethylpyrid-2-ylsulfinyl)acrylate 
• 110694-72-9 (S)_S-menthyl 3-(3-trifluoromethylpyrid-2-ylsulfinyl)acrylate 
• 104040-76-8 3-(trifluoromethyl)-2-pyridinesulfonamide 
• 104040-75-7 3-trifluoromethylpyridine-2-sulfonyl chloride 
• 110694-73-0 (1S,2R,6S,7S,8S,9R)-7-Methoxy-4,4-dimethyl-9-((S)-3-trifluoromethyl-pyridine-2-sulfinyl)-3,5,10-trioxa-tricyclo[5.2.1.0^2,6]decane-8-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester 
• 110694-73-0 (1S,2S,6R,7S,8R,9S)-7-Methoxy-4,4-dimethyl-9-((S)-3-trifluoromethyl-pyridine-2-sulfinyl)-3,5,10-trioxa-tricyclo[5.2.1.0^2,6]decane-8-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester 
• 110714-01-7 (1S,2S,3R,4R)-1-Methoxy-3-((R)-3-trifluoromethyl-pyridine-2-sulfinyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester 
• 110714-01-7 (1S,2R,3S,4R)-1-Methoxy-3-((R)-3-trifluoromethyl-pyridine-2-sulfinyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester 

Relevant articles and documents

Preparation method N -methoxycarbonyl -3 -trifluoromethylpyridine -2 - sulfanilamide

The invention relates to a preparation method of N - methoxycarbonyl -3 -trifluoromethylpyridine -2 - sulfanilamide, and belongs to the technical field of organic synthesis. The preparation method comprises the following steps: preparing 3 -trifluoromethylpyridine -2 - sulfonyl chloride containing urea and acid. Methyl carbamate is obtained as a raw material, and then 3 - trifluoromethylpyridine -2 - sulfonyl chloride and methyl carbamate are used as raw materials to obtain N - methoxycarbonyl -3 - trifluoromethylpyridine -2 - sulfanilamide. The preparation method disclosed by the invention has the advantages of few reaction steps, simple reaction conditions and cheap and accessible raw materials.

Sulphonamido-Substituted Cyclohexyl Sulphones for Treatment of Cancer

Compounds of formula (I) are disclosed for treatment of cancer.

Nucleophilic displacement in 2-chloro(trifluoromethyl)pyridines with amines and ammonia

The activating effect of trifluoromethyl groups in 2-chloro(trifluoromethyl)pyridines was investigated by comparing reactions of these compounds and of 2-chloropyridine with secondary cyclic amines. The ammonolysis of 2-chloro-3-trifluoromethylpyridine and 2-chloro-4-trifluoromethylpyridine is also reported and shown to proceed, in contrast to the reported behaviour of 2-chloro-5-trifluoromethylpyridine, without hydrolysis of the trifluoromethyl function. Both 2-amino-3-trifluoromethylpyridine and 2-amino-4-trifluoromethylpyridine were converted (via the corresponding pyridones) to 3-trifluoromethylpyridin-2(1H)-thione and 4-trifluoromethylpyridin-2(1H)-thione, and a number of S-alkyl derivatives of the latter compounds were prepared.

The Synthesis and Some Reactions of Novel Pyridine-2(1H)-thiones

The use of methyl 3-mercaptopropionate for the conversion of halogenated pyridins to pyridine thiones and thiols is described, and limitations of the reaction discussed.S-Alkylation and oxidation reactions of the products from these reactions are reported.