CAS 3543-74-6

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Introduction

Molecular Formula: C18H27N3O4

Molecular Weight: 349.428

CAS No.: 3543-74-6

Name [1-Methyl-5-bis(2′-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
Synonyms Bendamustine Related Impurity 1
ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoate
5-[Bis(2-hydroxyethyl)aMino]-1-Methyl-2-benziMidazolebutyric Acid Ethyl Ester
[1-Methyl-5-bis(2′-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
ethyl 4-{5-[bis(2-hydroxyethyl)aMino]-1-Methyl-1H-1,3-benzodiazol-2-yl}butanoate
Ethyl-4-(5-(bis(2-hydroxyethyl)aMino)-1-Methyl-1H-benzo[d]iMidazol-2-yl)butanoate
5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
4-[5-[Bis(2-hydroxyethyl)aMino]-1-MethylbenziMidazol-2-yl]butanoic acid ethyl ester
1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
4-{5-[Bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzoimidazol-2-yl}-butyric acidethylester
4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzoimidazol-2-yl}-butyric acid ethyl ester

Physico-chemical Properties

Molecular Formula C18H27N3O4
Molar Mass 349.42
Density 1.21±0.1 g/cm3(Predicted)
Melting Point 98-101°C
Boling Point 580.6±50.0 °C(Predicted)
Flash Point 305°C
Solubility Chloroform (Slightly), Methanol (Slightly)
Vapor Presure 2.53E-14mmHg at 25°C
Appearance Solid
Color White to Brown
pKa 14.26±0.10(Predicted)
Storage Condition Sealed in dry,Store in freezer, under -20°C
Refractive Index 1.572

Risk and Safety

HS Code 2933998350

​Reference Information

Introduction 5-[bis (2-hydroxyethyl) amino]-1-methyl-1H-benzimidazole-2-butyrate Ethyl ethyl ester is also called 4-{5-bis-(2-hydroxyethyl) amino]-1-methyl-2-benzimidazole} methyl butyrate, which is an intermediate for the synthesis of bendamustine hydrochloride. Bendamustine hydrochloride (BendamustineHydrochloride) was first developed by Ozegowski and his colleagues in the Microbial Experimental Association in Jena, Germany in the early 1960s. The original purpose was to connect an alkylated nitrogen mustard to a purine and amino acid.
preparation 5g(0.0202mol) of methyl 5-amino -1-methyl -1H-2-benzimidazole butyrate, 60ml of glacial acetic acid and 60ml of water were sequentially added to a 500ml three-mouth round bottom flask, cooled to 0 ℃, added 2.6ml(0.0521mol) of ethylene oxide, deicing bath, and naturally heated to room temperature for 10 hours. After the reaction is completed, add 50ml dichloromethane, slowly add 20g of sodium carbonate, stir for 1 hour, filter, and dry the filtrate with anhydrous sodium sulfate for 8 hours. Filtration, concentration under reduced pressure until no fraction is produced, 50ml of dichloromethane is added, stirred, filtered, and the solid is blasted and dried at 50 ℃ for 8 hours to obtain 5.8g of white-like solid, molar yield: 85.5%,HPLC:94.6%.

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