| Identification | Back Directory | [Name]
4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER | [CAS]
142031-67-2 | [Synonyms]
Methyl 4-broMo-3-(broMoMethyl)benzoate
Methyl 3-(bromomethyl)-3-bromophenylacetate
4-BROMO-3-BROMOMETHYL-BENZOIC ACID METHYL ESTER
Benzoic acid, 4-bromo-3-(bromomethyl)-, methyl ester | [Molecular Formula]
C9H8Br2O2 | [MDL Number]
MFCD11858300 | [MOL File]
142031-67-2.mol | [Molecular Weight]
307.97 |
| Chemical Properties | Back Directory | [Boiling point ]
356.9±32.0 °C(Predicted) | [density ]
1.780±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
White flakes | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C9H8Br2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3 | [InChIKey]
GRJDNFSKEWOMIM-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=C(Br)C(CBr)=C1 |
| Hazard Information | Back Directory | [Synthesis]
In a 6-liter reactor equipped with a condenser, a central mechanical stirrer, and a thermometer, introduce 575 g (2.5 mol) of methyl 4-bromo-3-methylbenzoate, 3 liters of methylene chloride, 494 g (2.75 mol) of N-bromosuccinimide and 17 g of benzoyl peroxide (0.05 mol; 70percent in water). Heat the mixture at reflux under irradiation with a 1000-watt lamp for 10 h. Wash the mixture twice with 1 liter of water, then with 1 liter of saturated sodium chloride solution. Evaporate the methylene chloride. Recrystallize the crude product obtained from heptane. This gives 596 g of 4-bromo-3-bromomethyl-benzoic acid methyl ester as off-white crystals.
| [References]
[1] Patent: US2007/15931, 2007, A1. Location in patent: Page/Page column 6
[2] Patent: US2010/4159, 2010, A1. Location in patent: Page/Page column 59; 62
[3] Patent: WO2006/110173, 2006, A2. Location in patent: Page/Page column 78-79
[4] Chemische Berichte, 1993, vol. 126, # 7, p. 1635 - 1642
[5] ChemMedChem, 2015, vol. 10, # 4, p. 688 - 714 |
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