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| | 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester Basic information |
| Product Name: | 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester | | Synonyms: | Ethyl-4-(5-(bis(2-hydroxyethyl)aMino)-1-Methyl-1H-benzo[d]iMidazol-2-yl)butanoate;5-[Bis(2-hydroxyethyl)aMino]-1-Methyl-2-benziMidazolebutyric Acid Ethyl Ester;4-[5-[Bis(2-hydroxyethyl)aMino]-1-MethylbenziMidazol-2-yl]butanoic acid ethyl ester;ethyl 4-{5-[bis(2-hydroxyethyl)aMino]-1-Methyl-1H-1,3-benzodiazol-2-yl}butanoate;Bendamustine Related Impurity 1;1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester;5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester;4-{5-[Bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzoimidazol-2-yl}-butyric acidethylester | | CAS: | 3543-74-6 | | MF: | C18H27N3O4 | | MW: | 349.42 | | EINECS: | 680-672-5 | | Product Categories: | intermediate;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals | | Mol File: | 3543-74-6.mol | ![5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester Structure](CAS/GIF/3543-74-6.gif) |
| | 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester Chemical Properties |
| Melting point | 98-101°C | | Boiling point | 580.6±50.0 °C(Predicted) | | density | 1.21±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Store in freezer, under -20°C | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | pka | 14.26±0.10(Predicted) | | color | White to Brown | | Major Application | pharmaceutical | | InChI | 1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3 | | InChIKey | SJYOJVBTSZGDQH-UHFFFAOYSA-N | | SMILES | [n]1(c2c(nc1CCCC(=O)OCC)cc(cc2)N(CCO)CCO)C |
| WGK Germany | WGK 3 | | HS Code | 2933998350 | | Storage Class | 6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Carc. 2
Muta. 2
Repr. 2 |
| | 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester Usage And Synthesis |
| Chemical Properties | Off-White to Light Tan Solid | | Uses | [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester_x000D_Bendamustine Related Impurity 1 (cas# 3543-74-6) is a compound useful in organic synthesis. | | Synthesis | Stir and dissolve 5-amino-1-methyl-1H-2-benzimidazole butyric acid ethyl ester (60g, 0.23mol), 600mL water, and 300mL glacial acetic acid in a 2L reaction flask, and cool to -50, Add 120 mL of ethylene oxide, and control the temperature to complete the reaction. Adjust the pH of the potassium carbonate solution to 7.0-7.3, extract with dichloromethane 300 mL×3, combine the organic phases, wash with purified water 200 mL×3, dry with anhydrous magnesium sulfate, filter, and concentrate to obtain a brown solid. Then add 1200 mL of ethyl acetate and heat to 70-80° C. to dissolve, cool to room temperature to crystallize, filter and dry to obtain 63 g of light brown solid 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester with a purity of 99.3%. The yield was 78.5%.
![5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester](/NewsImg/2024-03-27/6384713186339636192125883.png "5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester")
| | References | [1] Patent: US2014/121383, 2014, A1. Location in patent: Paragraph 0094
[2] Patent: WO2012/176214, 2012, A2. Location in patent: Page/Page column 5 |
| | 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester Preparation Products And Raw materials |
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