111770-91-3

Basic information

• Product Name: 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF&
• Synonyms: 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF&;6-Methyl-3-pyridyl trifluoromethanesulfonate, 96%;(6-methylpyridin-3-yl) trifluoromethanesulfonate
• CAS NO: 111770-91-3
• Molecular Formula: C₇H₆F₃NO₃S
• Molecular Weight: 241.19
• Product Categories: Heterocyclic Compounds
• Mol File: 111770-91-3.mol
• Article Data: 36

Chemical Properties

• Boiling Point: 80-82 °C1.9 mm Hg(lit.)
• Flash Point: 198 °F
• Appearance: /
• Density: 1.412 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: n20/D 1.442(lit.)
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF&(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF&(111770-91-3)
• EPA Substance Registry System: 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF&(111770-91-3)

Safety Data

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37-45
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 111770-91-3(Hazardous Substances Data)

Usage

General Description

2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is a chemical compound with the molecular formula C8H7F3N2S. It is a derivative of pyridine and contains a trifluoromethanesulfonyl group. 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is used in organic synthesis and pharmaceutical research as a reagent and intermediate. It is known for its ability to modify and functionalize organic molecules, making it a valuable tool in the development of new drugs and materials. Additionally, it is a source of the trifluoromethanesulfonyl group, which is a valuable functional group in organic chemistry. However, it should be handled and used with caution due to its potential hazards and toxicological effects.

InChI:InChI=1/C7H6F3NO3S/c1-5-2-3-6(4-11-5)14-15(12,13)7(8,9)10/h2-4H,1H3

Upstream product

• 1121-78-4 5-Hydroxy-2-methylpyridine 
• 861359-74-2 diisopropylethyl amine 
• 121-44-8 triethylamine 
• 1025373-45-8 trifluoromethanesulfonic acid anhydride 
• 358-23-6 trifluoromethylsulfonic anhydride 
• 37595-74-7 N,N-phenylbistrifluoromethane-sulfonimide 

Downstream Products

• 659742-21-9 (6-methylpyridin-3-yl)boronic acid 

Relevant articles and documents

Discovery of Potent Orally Active Protease-Activated Receptor 1 (PAR1) Antagonists Based on Andrographolide

Protease-activated receptor-1 (PAR1), a G-protein-coupled receptor, plays a critical role in thrombin-mediated platelet aggregation. It is regarded as a promising antithrombosis target that is unlikely to result in bleeding. Here, we describe the synthesi

Discovery of octahydroindenes as PAR1 antagonists

Octahydroindene was identified as a novel scaffold for protease activated receptor 1 (PAR1) antagonists. Herein, the 2-position (C2) was explored for structure-activity relationship (SAR) studies. Compounds 14, 19, and 23b showed IC50 values of 1.3, 8.6, and 2.7 nM in a PAR1 radioligand binding assay, respectively, and their inhibitory activities on platelet activation were comparable to that of vorapaxar in a platelet rich plasma (PRP) aggregation assay. This series of compounds showed high potency and no significant cytotoxicity; however, the compounds were metabolically unstable in both human and rat liver microsomes. Current research efforts are focused on optimizing the compounds to improve metabolic stability and physicochemical properties as well as potency.

PROCESS FOR PREPARING 1-(6-METHYLPYRIDIN-3-YL)-2-[4-(METHYLSULFONYL)PHENYL]ETHANONE, AN INTERMEDIATE OF ETORICOXIB

A process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methyl sulfonyl)phenyl]ethanone, an intermediate of the synthesis of Etoricoxib. The synthesis of the intermediates useful for such preparation is also described.