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Methyl 4-bromobenzoate

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Methyl 4-bromobenzoate Basic information

Product Name:
Methyl 4-bromobenzoate
Synonyms:
  • RARECHEM AL BF 0075
  • BRBSME
  • METHYL P-BROMOBENZOATE
  • METHYL 4-BROMOBENZOATE
  • 4-BROMOBENZOIC ACID METHYL ESTER
  • 4-bromo-benzoicacimethylester
  • Benzoic acid, 4-bromo-, methyl ester
  • Benzoic acid, p-bromo-, methyl ester
CAS:
619-42-1
MF:
C8H7BrO2
MW:
215.04
EINECS:
210-596-6
Product Categories:
  • Pyridines
  • C8 to C9
  • Aromatic Esters
  • Acids & Esters
  • Carbonyl Compounds
  • Esters
  • Bromine Compounds
  • bc0001
Mol File:
619-42-1.mol
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Methyl 4-bromobenzoate Chemical Properties

Melting point:
77-81 °C (lit.)
Boiling point:
252.95°C (rough estimate)
Density 
1,689 g/cm3
refractive index 
1.5500 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Crystals or Crystalline Powder
color 
White
Water Solubility 
Insoluble in water.
Merck 
14,1408
BRN 
2045132
InChIKey
HANNIMAAZKBBRE-UHFFFAOYSA-N
CAS DataBase Reference
619-42-1(CAS DataBase Reference)
NIST Chemistry Reference
4-Bromobenzoic acid methyl ester(619-42-1)
EPA Substance Registry System
Benzoic acid, 4-bromo-, methyl ester (619-42-1)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-24/25
WGK Germany 
3
TSCA 
Yes
HS Code 
29163990

MSDS

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Methyl 4-bromobenzoate Usage And Synthesis

Chemical Properties

WHITE CRYSTALS OR CRYSTALLINE POWDER

Uses

Methyl 4-bromobenzoate is used as a starting material in the synthesis of three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine and methyl 4-tri-n-butylstannylbenzoate. It is also used to stimulate microbial dechlorination of polychlorinated biphenyls. Further, it is used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.

Uses

Methyl 4-bromobenzoate is a halogenated benzoate used as a reagent in organic synthesis. It can be used to stimulate microbial dechlorination of PCBs. By condensing methyl 4-bromobenzoate with 3-buten-1-ol, 4-(4-methylphenyl)butanal can be obtained.

Application

Methyl 4-bromobenzoate may be used in the following syntheses:

  1. Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate.
  2. Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)2 catalyzed reaction with Imidazo[1,2-a]pyridine.
  3. 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. Mol-ecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodo-benzoate. 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′.

Purification Methods

Crystallise the ester from MeOH. EtOH (m 81o, also 80.5o, 79.5o) or *C6H6/pet ether (m 78-79o). [Beilstein 9 H 352, 9 III 1405, 9 IV 1017.]

Methyl 4-bromobenzoateSupplier

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