| Identification | Back Directory | [Name]
ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate | [CAS]
3543-72-4 | [Synonyms]
Bendamustine Impurity 30
Bendamustine Nitro Ethyl Ester
Bendamustine Related Impurity 18
Bendamustine ethyl ester impurity
BendaMustine Nitro Ethyl Ester IMpurity
2,2'-bipyridine, 5-(2,5-dimethyl-1h-pyrrol-1-yl)-
Ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)
ethyl 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoate
4-(1-Methyl-5-Nitro-1H-Benzo[D]Imidazol-2-Yl)Butanoate
ETHYL 4-(1-METHYL-5-NITRO-1HBENZIMIDAZOL-2-YL) BUTANOATE
ethyl 4-(1-Methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate
ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
1-Methyl-5-nitro-1H-benzimidazole-2-butanoic acid ethyl ester
4-(1-methyl-5-nitro-2-benzimidazolyl)butanoic acid ethyl ester
1H-Benzimidazole-2-butanoic acid, 1-methyl-5-nitro-, ethyl ester
1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester-d3
(5-Nitro-1-Methyl-1H-benzo[d]iMidazol-2-yl)butanoic acid ethyl ester
1H-BENZIMIDAZOLE-2-BUTANOIC ACID 1-METHY L-5-NITRO ETHYL ESTER DAM3P
TIANFU-CHEM - ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
Bendamustine impurity (1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester) | [EINECS(EC#)]
686-742-1 | [Molecular Formula]
C14H17N3O4 | [MDL Number]
MFCD09840985 | [MOL File]
3543-72-4.mol | [Molecular Weight]
291.3 |
| Chemical Properties | Back Directory | [Melting point ]
100-104°C | [Boiling point ]
481.0±25.0 °C(Predicted) | [density ]
1.30±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Dichloromethane, Ethyl Acetate, Methanol | [form ]
Solid | [pka]
3.78±0.10(Predicted) | [color ]
Brown | [InChI]
InChI=1S/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3 | [InChIKey]
VJVBGSJZBDBEIF-UHFFFAOYSA-N | [SMILES]
C1(CCCC(OCC)=O)N(C)C2=CC=C([N+]([O-])=O)C=C2N=1 |
| Hazard Information | Back Directory | [Chemical Properties]
Light Brown Solid | [Uses]
Bendamustine intermediate. | [Uses]
Labelled Bendamustine | [Synthesis]
157 g (596.4 mmol) of 1-methyl-5-nitro-1H-benzimidazole-2-butanoic acid was suspended in 1374 g of ethanol, 43.8 g of 96% sulfuric acid was added and the reaction mixture was heated to 50 °C. After refluxing the reaction for 10 hours, the mixture was concentrated to a crystalline concentration. The catalytic acid was neutralized with triethylamine and crystallization was promoted by cooling, followed by filtration to collect the precipitate. The product, ethyl 1-methyl-5-nitro-1H-benzimidazole-2-butanoate, was washed with ethanol and dried to give 163 g (559.5 mmol) with a purity of >99% (yield 93.8% of the theoretical value). | [References]
[1] Patent: US2014/31560, 2014, A1. Location in patent: Paragraph 0101; 0102
[2] Patent: EP2690096, 2014, A1. Location in patent: Paragraph 0073; 0074 |
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