| Identification | Back Directory | [Name]
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER | [CAS]
79670-17-0 | [Synonyms]
methy 5-bromo-2-bromomethylbenzoate
Methyl 2-broMoMethyl-5-broMobenzoate
Methyl 5-bromo-2-(bromomethyl)benzoate
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER
Benzoic acid, 5-bromo-2-(bromomethyl)-, methyl ester
tert-butyl 3-allyl-3-hydroxyazetidine-97-carboxylate | [Molecular Formula]
C9H8Br2O2 | [MDL Number]
MFCD11505949 | [MOL File]
79670-17-0.mol | [Molecular Weight]
307.97 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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