674773-12-7

Basic information

• Product Name: METHYL 5-AMINO-4-CYANO-3-(2-METHOXY-2-OXOETHYL)THIOPHENE-2-CARBOXYLATE
• Synonyms: METHYL 5-AMINO-4-CYANO-3-(2-METHOXY-2-OXOETHYL)THIOPHENE-2-CARBOXYLATE;5-AMino-4-cyano-2-(Methoxycarbonyl)-3-thiopheneacetic Acid Methyl Ester
• CAS NO: 674773-12-7
• Molecular Formula: C10H10N2O4S
• Molecular Weight: 254.26
• Mol File: 674773-12-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 455°C at 760 mmHg
• Flash Point: 229°C
• Appearance: /
• Density: 1.4g/cm³
• Vapor Pressure: 1.81E-08mmHg at 25°C
• Refractive Index: 1.574
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: -2.84±0.10(Predicted)
• CAS DataBase Reference: METHYL 5-AMINO-4-CYANO-3-(2-METHOXY-2-OXOETHYL)THIOPHENE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 5-AMINO-4-CYANO-3-(2-METHOXY-2-OXOETHYL)THIOPHENE-2-CARBOXYLATE(674773-12-7)
• EPA Substance Registry System: METHYL 5-AMINO-4-CYANO-3-(2-METHOXY-2-OXOETHYL)THIOPHENE-2-CARBOXYLATE(674773-12-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 674773-12-7(Hazardous Substances Data)

Usage

Uses

5-Amino-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetic Acid Methyl Ester is an intermediate used in the preparation of Strontium Ranelate (S687700).

InChI:InChI=1/C10H10N2O4S/c1-15-7(13)3-5-6(4-11)9(12)17-8(5)10(14)16-2/h3,12H2,1-2H3

Upstream product

• 1830-54-2 3-oxopentanedioic acid dimethyl ester 
• 109-77-3 malononitrile 
• 1208314-91-3 3-(dicyanomethylene)-5-hydroxy-5-methoxy-4-pentenoic acid methyl ester imidazolinium 

Downstream Products

• 674800-87-4 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetic acid methyl ester 
• 674773-13-8 methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)-2-thiophenecarboxylate 

Relevant articles and documents

IMPROVED PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE HYDRATES AND NEW POLYMORPHIC FORM OF MONOHYDRATE

The present invention relates to an improved process for preparation of pure strontium ranelate hydrates (Ia-c) by using the intermediates, amino dimethyl ester (II) and tetramethyl ester (III), which are prepared by novel methods. The present invention also relates to a new crystalline polymorphic form of strontium ranelate monohydrate Form F, and process for the preparation thereof. Formula (Ia-c) : Ia- Strontium ranelate octahydrate: n=8 Ib- Strontium ranelate tetrahydrate: n=4 Ic- Strontium ranelate monohydrate: n=1 Formula (II) and Formula (III).

A PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE

The present invention relates to an improved process for the synthesis of strontium ranelate or hydrates thereof. More particularly, the present invention relates to an effective process for the preparation of a compound of formula (III), which is a useful intermediate in the synthesis of strontium ranelate wherein R1 and R2 represents substituted or unsubstituted linear or branched C1-C6 alkyl group or C3-C12 cyclic group.

Process for the industrial synthesis of the methyl diester of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates

Process for the industrial synthesis of the compound of formula (I): Application to the synthesis of bivalent salts of ranelic acid and more especially strontium ranelate and its hydrates.