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| | 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Basic information | | Uses |
| Product Name: | 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER | | Synonyms: | 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER;Methyl 5-bromo-2-(bromomethyl)benzoate;Methyl 2-broMoMethyl-5-broMobenzoate;Benzoic acid, 5-bromo-2-(bromomethyl)-, methyl ester;methy 5-bromo-2-bromomethylbenzoate;tert-butyl 3-allyl-3-hydroxyazetidine-97-carboxylate;2-Fluoro-35-(methylthio)pyridine;2-methylthiazole-38-carboxylic acid | | CAS: | 79670-17-0 | | MF: | C9H8Br2O2 | | MW: | 307.97 | | EINECS: | | | Product Categories: | | | Mol File: | 79670-17-0.mol |  |
| | 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Chemical Properties |
| Boiling point | 349.7±32.0 °C(Predicted) | | density | 1.780±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | form | liquid | | color | Yellow | | InChI | InChI=1S/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3 | | InChIKey | UVIJBFVFEGZZLQ-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=CC(Br)=CC=C1CBr |
| | 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Usage And Synthesis |
| Uses | Methyl 5-bromo-2-bromotoluate is a carboxylic acid ester derivative and can be used as a pharmaceutical intermediate. | | Synthesis | Methyl 5-bromo-2-methylbenzoate (1 g, 4.4 mmol) was added to N-bromosuccinimide (0.80 g, 4.4 mmol) and benzoyl peroxide (56 mg, 0.23 mmol) in carbon tetrachloride (20 mL). The reaction mixture was stirred at 85°C for 2 hours. Upon completion of the reaction, the mixture was filtered through a silica gel pad and subsequently concentrated under vacuum to afford the target product methyl 5-bromo-2-bromomethylbenzoate (1.3 g, 97% yield). The structure of the product was confirmed by ESI-MS, m/z: 306.0 [M + H]+. | | References | [1] Patent: WO2018/68017, 2018, A1. Location in patent: Page/Page column 144
[2] Organic and Biomolecular Chemistry, 2017, vol. 15, # 48, p. 10172 - 10183
[3] Patent: WO2014/76104, 2014, A1. Location in patent: Page/Page column 63
[4] Patent: CN107474006, 2017, A. Location in patent: Paragraph 0050; 0051; 0053; 0056-0057; 0059; 0062-0063; 0065
[5] Patent: WO2008/23161, 2008, A1. Location in patent: Page/Page column 116-117 |
| | 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER Preparation Products And Raw materials |
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