61607-66-7

Basic information

• Product Name: (6R-trans)-7-amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• Synonyms: (6R-trans)-7-amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,6β)-7α-Amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cefotiam Impurity 7
• CAS NO: 61607-66-7
• Molecular Formula: C₁₃H₁₉N₇O₃S₂
• Molecular Weight: 385.46506
• EINECS: 262-867-3
• Mol File: 61607-66-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 686.6°Cat760mmHg
• Flash Point: 369.1°C
• Appearance: /
• Density: 1.76g/cm³
• Vapor Pressure: 8.49E-20mmHg at 25°C
• Refractive Index: 1.824
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: Water (Slightly)
• Stability: Hygroscopic
• CAS DataBase Reference: (6R-trans)-7-amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (6R-trans)-7-amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(61607-66-7)
• EPA Substance Registry System: (6R-trans)-7-amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(61607-66-7)

Safety Data

• Hazardous Substances Data: 61607-66-7(Hazardous Substances Data)

Usage

Uses

(6R,7R)-7-Amino-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid is an impurity of Cefotiam Dihydrochloride (C243005), a cephalosporin antibiotic.

InChI:InChI=1/C13H19N7O3S2/c1-18(2)3-4-19-13(15-16-17-19)25-6-7-5-24-11-8(14)10(21)20(11)9(7)12(22)23/h8,11H,3-6,14H2,1-2H3,(H,22,23)/t8-,11-/m1/s1

Upstream product

• 61607-68-9 1-[2-(dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione 
• 61607-11-2 (6R)-3-acetoacetyloxymethyl-7t-((R)-5-carboxy-5-phthalimido-pentanoylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 
• 61607-10-1 (6R)-7t-((R)-5-carboxy-5-phthalimido-pentanoylamino)-3-hydroxymethyl-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid; bis-triethylamine salt 
• 957-68-6 7-Aminocephalosporanic acid 

Downstream Products

• 80789-89-5 C₂₅H₂₈N₈O₃S₂ 

Relevant articles and documents

A synthesis method of cefotiam hydrochloride (by machine translation)

The invention belongs to the field of medical technology, discloses a method for synthesis of cefotiam hydrochloride. In order to 7 - aminocephalosporanic acid and 1 - (2 - dimethyl amino ethyl) - 1 H - 5 - mercapto - tetrazole as raw materials, high concentration boron trifluoride dimethyl carbonate complex as a catalyst, in the mixed solvent in the condensation reaction to obtain the three intermediate, with the amino thiazole acetyl chloride reaction to obtain the cefotiam hydrochloride. The present invention provides a method for the stable and smooth reaction, few by-products, the production of cefotiam hydrochloride yield and purity is ideal. (by machine translation)

A kind of cefotiam hydrochloride preparation method (by machine translation)

The invention discloses a method for preparing cefotiam hydrochloride. The method comprises the following steps: carrying out a condensation reaction by using 7-ACA and DMMT as raw materials, a boron trifluoride acetonitrile complex as a catalyst and acetonitrile as a reaction solvent to prepare a 7-ACMT reaction liquid; carrying out a 'one-pot' acylation on the reaction liquid with ATC.HCl after treatment of direct water addition and alkali regulation without separating and purifying 7-ACMT; extracting and separating organic impurities from the acylation reaction liquid by acidification and organic solvent, and adding hydrophilic solvent to separate high-purity cefotiam hydrochloride. According to the method, two reactions are carried out in one step, the equipment using efficiency and labor efficiency can be improved, the labor intensity is reduced, the product yield is improved on the premise of guaranteeing the product quality, and the production cost is reduced; all impurity separating operations are carried out after the acylation reaction, product loss caused by intermediate separating operation can be reduced, and the product purity can be guaranteed.