| Company Name: |
Cool Pharm, Ltd |
| Tel: |
021-60455363 18019463053 |
| Email: |
sales@coolpharm.com |
|
| | Benzamide, 2-amino-4-fluoro- (9CI) Basic information |
| | Benzamide, 2-amino-4-fluoro- (9CI) Chemical Properties |
| Melting point | 132 °C(Solv: benzene (71-43-2)) | | Boiling point | 270.8±25.0 °C(Predicted) | | density | 1.344±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C(protect from light) | | pka | 15.69±0.50(Predicted) | | Appearance | Off-white to light brown Solid | | InChI | InChI=1S/C7H7FN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11) | | InChIKey | OAQNMGCVLKKYJF-UHFFFAOYSA-N | | SMILES | C(N)(=O)C1=CC=C(F)C=C1N |
| Hazard Codes | Xn | | Risk Statements | 22 | | HS Code | 2922390090 |
| | Benzamide, 2-amino-4-fluoro- (9CI) Usage And Synthesis |
| Synthesis | Step A: 2-amino-4-fluorobenzoic acid (4.0 g, 25.8 mmol) was dissolved in degassed DMF (50 mL) under nitrogen protection. HOBt (4.19 g, 31 mmol), DIEA (5.4 mL, 31 mmol), EDCI (5.94 g, 31 mmol), and a methanol solution of 2N ammonia (18 mL, 36.1 mmol) were added sequentially. The reaction mixture was stirred at room temperature for 48 hours. After completion of the reaction, the reaction solution was concentrated under reduced pressure. The residue was purified by silica gel column chromatography to afford 2-amino-4-fluorobenzamide as a white solid (2.89 g, 66% yield).1H NMR (300 MHz, DMSO-d6) δ 6.28 (m, 1H), 6.44 (m, 1H), 6.90 (br s, 2H), 7.08 (m, 1H), 7.58 (m, 1H), and 7.71 (br d, 1H). | | References | [1] Patent: WO2010/99379, 2010, A1. Location in patent: Page/Page column 135
[2] Patent: WO2018/125961, 2018, A1. Location in patent: Page/Page column 58; 59
[3] Bioorganic and Medicinal Chemistry, 2000, vol. 8, # 3, p. 497 - 506
[4] Patent: US2014/275072, 2014, A1. Location in patent: Paragraph 0132; 0133
[5] Journal of Agricultural and Food Chemistry, 2015, vol. 63, # 31, p. 6883 - 6889 |
| | Benzamide, 2-amino-4-fluoro- (9CI) Preparation Products And Raw materials |
|