| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
|
| | 4-Bromo-N-methylbenzamide 98% Basic information |
| | 4-Bromo-N-methylbenzamide 98% Chemical Properties |
| Melting point | 173-174℃ | | Boiling point | 329.8±25.0 °C(Predicted) | | density | 1.67 g/cm3 | | storage temp. | Sealed in dry,Room Temperature | | pka | 14.63±0.46(Predicted) | | form | solid | | color | White to off-white | | InChI | 1S/C8H8BrNO/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11) | | InChIKey | DXCFWNVWQTYPOC-UHFFFAOYSA-N | | SMILES | CNC(=O)c1ccc(Br)cc1 | | CAS DataBase Reference | 27466-83-7 |
| Hazard Codes | Xi | | Risk Statements | 22 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2924297099 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 4-Bromo-N-methylbenzamide 98% Usage And Synthesis |
| Synthesis | The general procedure for the synthesis of N-methyl-4-bromobenzamide from 4-bromobenzoyl chloride and monomethylamine was as follows: 4-bromobenzoyl chloride (5.0 g, 22.8 mmol) was dissolved in dichloromethane (DCM, 100 mL), followed by the addition of triethylamine (TEA, 7.0 mL, 50.2 mmol). A THF solution of methylamine (20 mL, 2.0 N) was added slowly and dropwise with stirring. The reaction mixture was stirred for 1 h at room temperature and then the reaction was quenched with 2.0 N hydrochloric acid (50 mL). The reaction mixture was extracted with dichloromethane (2 x 100 mL) and the organic phases were combined and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give the white solid product N-methyl-4-bromobenzamide (4.8 g, 98% yield). The product was confirmed by NMR hydrogen spectrum (299.954 MHz, CDCl3): δ 7.62 (d, 2H), 7.55 (d, 2H), 6.16 (s, 3H), 3.00 (d, 6H); mass spectrum (m/z): 215. | | References | [1] Patent: WO2006/64251, 2006, A1. Location in patent: Page/Page column 60-61
[2] Journal of Medicinal Chemistry, 2018, vol. 61, # 11, p. 4860 - 4882
[3] Tetrahedron, 1973, vol. 29, p. 1073 - 1081
[4] Patent: US5654299, 1997, A
[5] Tetrahedron Letters, 2008, vol. 49, # 11, p. 1725 - 1728 |
| | 4-Bromo-N-methylbenzamide 98% Preparation Products And Raw materials |
|