Chemical Additives

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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