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Methyl 4-bromobenzoate

ALDRICH/407593 - 99%

Synonym: 1-Bromo-4-(methoxycarbonyl)benzene; 4-Bromobenzoic acid methyl ester; 4-Methoxycarbonyl-1-bromobenzene; 4-Methoxycarbonylphenyl bromide; Methyl p-bromobenzoate; p-Bromobenzoic acid methyl ester

CAS Number: 619-42-1
Empirical Formula (Hill Notation): C8H7BrO2
Molecular Weight: 215.04
EC Number: 210-596-6
MDL Number: MFCD00013531
Linear Formula: BrC6H4CO2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-407593-10G 10 g
 $121.00
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assay 99%
form powder
functional group bromo
  ester
InChI 1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI key CZNGTXVOZOWWKM-UHFFFAOYSA-N
mp 77-81 °C (lit.)
Quality Level 100 
SMILES string COC(=O)c1ccc(Br)cc1
Application: Methyl 4-bromobenzoate may be used in the following syntheses:
• Three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogs, employed as antifolates.
• Methyl 4-tri-n-butylstannylbenzoate.
• Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate.
• Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)2 catalyzed reaction with Imidazo[1,2-a]pyridine.
• Methyl (E)-4-[3-(2-methoxycarbonylvinyl)-thiophen-2-yl]acrylate by reacting with methyl (E)-3-(thiophen-3-y)lacrylate.
General description: Methyl 4-bromobenzoate is a para-substituted aryl bromide. Mol­ecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodo­benzoate. The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the ′geometric method′.
Packaging: 10 g in glass bottle
Purity 99%
mp 77-81 °C (lit.)
UNSPSC 12352100

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