| Company Name: |
Cool Pharm, Ltd |
| Tel: |
021-60455363 18019463053 |
| Email: |
sales@coolpharm.com |
|
| | Iflab-bb F2108-0155 Basic information |
| Product Name: | Iflab-bb F2108-0155 | | Synonyms: | 2-BROMO-5-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;2-BROMO-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;2-Bromo-5-methyl-4H-imidazole-4-carboxylic acid ethyl ester;ethyl 2-broMo-5-Methyl-1H-iMidazole-4-carboxylate;Ethyl 2-broMo-5-Methyl-4H-iMidazole-4-carboxylate;Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate;1H-Imidazole-5-carboxylic acid,2-bromo-4-methyl-,ethyl ester;1H-Imidazole-4-carboxylic acid, 2-bromo-5-methyl-, ethyl ester | | CAS: | 95470-42-1 | | MF: | C7H9BrN2O2 | | MW: | 233.06 | | EINECS: | | | Product Categories: | | | Mol File: | 95470-42-1.mol |  |
| | Iflab-bb F2108-0155 Chemical Properties |
| Melting point | 152-153 °C | | Boiling point | 347.4±34.0 °C(Predicted) | | density | 1.576±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 8.81±0.10(Predicted) | | Appearance | Colorless to off-white Solid |
| | Iflab-bb F2108-0155 Usage And Synthesis |
| Synthesis | General procedure: The synthesis of ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (EV-AT8648-001) from ethyl 4-methyl-5-imidazolecarboxylate was performed as follows:
Step 1: To a stirred solution of ethyl 4-methyl-1H-imidazole-5-carboxylate (CAS 51605-32-4, 500 mg, 3.24 mmol) in a mixture of acetonitrile (10 mL) and chloroform (10 mL), N-bromosuccinimide (577 mg, 3.24 mmol) was added. The reaction was carried out under nitrogen protection with stirring at room temperature for 18 hours. Upon completion of the reaction, the reaction mixture was concentrated and the residue was purified by fast column chromatography (eluent: 10-100% ethyl acetate/heptane gradient) to afford 560 mg (73% yield) of the target product, ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (EV-AT8648-001), as an off-white solid.
LCMS analysis (Method D): retention time 0.87 min, mass spectrum m/z = 233/235 ([M+H]+). | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 12, p. 3669 - 3674
[2] Patent: WO2017/147102, 2017, A1. Location in patent: Paragraph 00167-00168
[3] Patent: WO2008/111794, 2008, A1. Location in patent: Page/Page column 27
[4] Patent: US2009/156615, 2009, A1. Location in patent: Page/Page column 19
[5] Patent: US2015/284358, 2015, A1. Location in patent: Paragraph 0126; 0127; 0128 |
| | Iflab-bb F2108-0155 Preparation Products And Raw materials |
|