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532878

Methyl 4-bromo-3-methylbenzoate

95%

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About This Item

Linear Formula:
BrC6H3(CH3)CO2CH3
CAS Number:
148547-19-7
Molecular Weight:
229.07
NACRES:
NA.22
PubChem Substance ID:
24877922
UNSPSC Code:
12352100
MDL number:
MFCD00673014
Assay:
95%
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Quality Segment

100

assay

95%

mp

38-44 °C (lit.)

functional group

bromo, ester

SMILES string

COC(=O)c1ccc(Br)c(C)c1

InChI

1S/C9H9BrO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3

InChI key

GTZTYNPAPQKIIR-UHFFFAOYSA-N

General description

Methyl 4-bromo-3-methylbenzoate, an aromatic ester, undergoes Suzuki coupling with 2-chloroboronic acid to afford the corresponding biaryl.

Application

Methyl 4-bromo-3-methylbenzoate may be used in the preparation of:
  • 4-bromo-3-vinylbenzoic acid
  • 4-bromo-3-(methylphenyl)methanol
  • methyl (E)-4-bromo-3-[(phenylmethoxyimino)methyl]benzoate

It may be used as a starting material in the total synthesis of (-)-martinellic acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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