5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
Synonym(s):Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
- CAS NO.:3543-74-6
- Empirical Formula: C18H27N3O4
- Molecular Weight: 349.42
- MDL number: MFCD09840918
- EINECS: 680-672-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-28 13:39:29
What is 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester?
Chemical properties
Off-White to Light Tan Solid
The Uses of 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
[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%.
Properties of 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
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 |
Safety information for 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H301:Acute toxicity,oral H341:Germ cell mutagenicity H351:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester manufacturer
Aavyan Labs
Khagga Life Sciences
Myosynth Laboratories Pvt Ltd
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