| Company Name: |
DILICHEM Gold |
| Tel: |
0519-0519-81238123 18014346496 |
| Email: |
shichaojun@126.com |
|
| | Methyl 3-bromo-5-nitrobenzoate Basic information |
| Product Name: | Methyl 3-bromo-5-nitrobenzoate | | Synonyms: | Methyl 3-bromo-5-nitrobenzoate;Methyl 3-bromo-5-nitrobenzoate 98%;Methyl3-bromo-5-nitrobenzoate98%;3-Bromo-5-nitro-benzoic acid methyl ester;Benzoic acid, 3-bromo-5-nitro-, methyl ester;DK89898D;3-Bromo-5-nitro-benzoic acid met | | CAS: | 6307-87-5 | | MF: | C8H6BrNO4 | | MW: | 260.04 | | EINECS: | | | Product Categories: | blocks;Bromides;Carboxes | | Mol File: | 6307-87-5.mol |  |
| | Methyl 3-bromo-5-nitrobenzoate Chemical Properties |
| Melting point | 70 °C(Solv: ethanol (64-17-5)) | | Boiling point | 326.0±22.0 °C(Predicted) | | density | 1.673±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | solid | | color | Off-white to light brown | | InChI | InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3 | | InChIKey | DDJCZBFPZLYREP-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=CC([N+]([O-])=O)=CC(Br)=C1 |
| Hazard Codes | Xi | | Hazard Note | Irritant | | HS Code | 2916399090 |
| | Methyl 3-bromo-5-nitrobenzoate Usage And Synthesis |
| Uses | Methyl 3-bromo-5-nitrobenzoate is a pharmaceutical intermediate. Methyl 3-bromo-5-nitrobenzoate can be used to prepare 3-amidobenzoic acid derivatives such as 3-(4-trifluoromethylbenzoyl)amino-5-(2',6'-(2H)piperidinylphenyl)benzoic acid, which have P2Y receptor antagonist effects. | | Synthesis | The preparation method is achieved through a two-step reaction: first, at 0°C, 3-nitrobenzoic acid is dissolved in concentrated sulfuric acid, N-bromosuccinimide is added, the reaction is carried out at 65°C for 2 hours, and 3-nitro-5-bromobenzoic acid is obtained after stirring with ice water, suction filtration, and drying, with a yield of 95%. Next, the product is dissolved in methanol, SOCl₂ is added dropwise at 0°C, the reaction is carried out at room temperature for 2 hours, and Methyl 3-bromo-5-nitrobenzoate is finally obtained after treatment with a sodium bicarbonate solution, extraction with ethyl acetate, drying, and column chromatography purification, with a yield of 86.46%. | | References | [1] Chemistry - A European Journal, 2006, vol. 12, # 18, p. 4764 - 4774
[2] Journal of the American Chemical Society, 2013, vol. 135, # 46, p. 17408 - 17416
[3] Patent: WO2014/19685, 2014, A1. Location in patent: Page/Page column 13; 39
[4] Journal of Molecular Structure, 2013, vol. 1036, p. 505 - 509
[5] Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 3496 - 3505 |
| | Methyl 3-bromo-5-nitrobenzoate Preparation Products And Raw materials |
|