56891-69-1

Basic information

• Product Name: Ethyl 3-cyano-2-mercapto-6-methylisonicotinate
• Synonyms: ETHYL 3-CYANO-2-MERCAPTO-6-METHYLISONICOTINATE;ETHYL 3-CYANO-2-MERCAPTO-6-METHYLPYRIDINE-4-CARBOXYLATE;ETHYL 3-CYANO-2-MERCAPTO-6-METHYLPYRIDINE-4-CARBOXYLATE 97%;3-Cyano-4-(ethoxycarbonyl)-6-methylpyridine-2-thiol;3-Cyano-2-mercapto-6-methyl-isonicotinic acid ethyl ester;ethyl 3-cyano-6-methyl-2-thioxo-1,2-dihydropyridine-4-carboxylate;Ethyl3-cyano-6-methyl-2-sulphanylisonicotinate
• CAS NO: 56891-69-1
• Molecular Formula: C₁₀H₁₀N₂O₂S
• Molecular Weight: 222.26
• Mol File: 56891-69-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 214 °C
• Boiling Point: 302.8°Cat760mmHg
• Flash Point: 136.9°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 4.45E-07mmHg at 25°C
• PKA: 6.89±0.70(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: Ethyl 3-cyano-2-mercapto-6-methylisonicotinate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 3-cyano-2-mercapto-6-methylisonicotinate(56891-69-1)
• EPA Substance Registry System: Ethyl 3-cyano-2-mercapto-6-methylisonicotinate(56891-69-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39-26
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 56891-69-1(Hazardous Substances Data)

Usage

General Description

Ethyl 3-cyano-2-mercapto-6-methylisonicotinate is a chemical compound with the molecular formula C12H13N3O2S. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Ethyl 3-cyano-2-mercapto-6-methylisonicotinate has potential applications in the field of medicinal chemistry due to its ability to act as a ligand in coordination chemistry. It possesses a thiol group, a nitrile group, and a carboxylic acid ester group, making it a versatile building block for the synthesis of various organic molecules. Additionally, its structural and functional properties make it a valuable tool for the development of new drugs and agrochemicals with improved efficacy and reduced environmental impact.

InChI:InChI=1/C10H10N2O2S/c1-3-14-10(13)7-4-6(2)12-9(15)8(7)5-11/h4H,3H2,1-2H3,(H,12,15)/p-1

Upstream product

• 7357-70-2 Cyanothioacetamide 
• 615-79-2 ethyl 2,4-diketopentanoate 

Downstream Products

• 635730-86-8 3-amino-6-methylthieno[2,3-b]pyridine-2,4-dicarboxylic acid 2-amide 4-phenylamide 
• 635730-99-3 3-amino-4-(1hydroxy-2-phenylethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylic acid amide 
• 635730-97-1 3-amino-4-(hydroxyphenylmethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylic acid amide 
• 193617-23-1 3-Acetyl-2-hydroxy-7-methyl-4-(3-trifluoromethyl-phenyl)-thieno[2,3-b;4,5-b']dipyridine-9-carboxylic acid ethyl ester 
• 193617-22-0 3-Acetyl-2-hydroxy-7-methyl-4-(4-nitro-phenyl)-thieno[2,3-b;4,5-b']dipyridine-9-carboxylic acid ethyl ester 
• 193617-25-3 3-Acetyl-4-(2,4-dichloro-phenyl)-2-hydroxy-7-methyl-thieno[2,3-b;4,5-b']dipyridine-9-carboxylic acid ethyl ester 
• 193617-21-9 3-Acetyl-2-hydroxy-4-(4-methoxy-phenyl)-7-methyl-thieno[2,3-b;4,5-b']dipyridine-9-carboxylic acid ethyl ester 

Relevant articles and documents

Methods for treating Hepatitis C

In accordance with the present invention, compounds that can inhibit viral replication, preferably Hepatitis C Virus (HCV) replication, have been identified, and methods for their use provided. In one aspect of the invention, compounds useful in the treatment or prevention of a viral infection are provided. In another aspect of the invention, compounds useful in the treatment or prevention of HCV infection are provided.