| Identification | More | [Name]
Methyl 2-bromomethylbenzoate | [CAS]
2417-73-4 | [Synonyms]
2-BROMOMETHYL-1-BENZOIC ACID
2-(BROMOMETHYL)BENZOIC ACID METHYL ESTER
ART-CHEM-BB B019566
METHYL 2-BROMOMETHYL BENZOATE
RARECHEM AL BO 0035
o-(Bromomethyl)benzoic acid methyl ester | [EINECS(EC#)]
815-005-0 | [Molecular Formula]
C9H9BrO2 | [MDL Number]
MFCD00090420 | [Molecular Weight]
229.07 | [MOL File]
2417-73-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
32-32.5 °C | [Boiling point ]
114 °C(Press: 0.44 Torr) | [density ]
1.460±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [solubility ]
Chloroform (Sparingly), Hexane (Slightly) | [form ]
Solid | [color ]
White Low Melting | [InChI]
InChI=1S/C9H9BrO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6H2,1H3 | [InChIKey]
QKASDIPENBEWBU-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=CC=C1CBr | [CAS DataBase Reference]
2417-73-4(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
Methyl 2-Bromomethylbenzoate is a reactant in the preparation of Methyl 2-((4-(2-(2-methylphenoxy)acetyl)piperazin-1-yl)methyl)benzoate with neuroprotective activity. | [Synthesis]
General procedure for the synthesis of methyl 2-bromomethylbenzoate from methyl o-toluate: (2) 1.50 g (10 mmol) of methyl o-toluate was added to a 250 mL round-bottom flask and dissolved in 80 mL of carbon tetrachloride. Subsequently 1.98 g (11 mmol) of N-bromosuccinimide (NBS) and 48 mg (0.2 mmol) of benzoyl peroxide (BPO) were added. The mixture was heated to reflux for 1.5 h to ensure complete reaction. Upon completion of the reaction, insoluble material was removed by filtration and the solvent was subsequently evaporated to give methyl 2-bromomethylbenzoate. The reaction was quantitative. | [References]
[1] Journal of Medicinal Chemistry, 2000, vol. 43, # 24, p. 4667 - 4677
[2] Chemical Communications, 2010, vol. 46, # 13, p. 2227 - 2229
[3] Patent: US2011/237786, 2011, A1. Location in patent: Page/Page column 7
[4] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 9, p. 1132 - 1148
[5] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 9, p. 1359 - 1360 |
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