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About This Item
Linear Formula:
BrC6H3(CH3)CO2CH3
CAS Number:
Molecular Weight:
229.07
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
95%
mp
38-44 °C (lit.)
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:
It may be used as a starting material in the total synthesis of (-)-martinellic acid.
- 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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Synthesis and properties of mesogen-jacketed liquid crystalline polymers with asymmetry mesogenic core.
Chen S, et al.
Macromolecules, 40(16), 5718-5725 (2007)
Atsushi Shirai et al.
The Journal of organic chemistry, 73(12), 4464-4475 (2008-05-14)
The asymmetric total synthesis of martinellic acid, the first pyrrolo[3,2-c]quinoline alkaloid found in nature, is described. Three key steps in our synthesis of (-)-martinellic acid are the Bu(3)SnH-promoted radical addition-cyclization-elimination (RACE) reaction of an oxime ether with an alpha,beta-unsaturated ester
Sheel C Dodani et al.
Proceedings of the National Academy of Sciences of the United States of America, 111(46), 16280-16285 (2014-11-08)
For reasons that remain insufficiently understood, the brain requires among the highest levels of metals in the body for normal function. The traditional paradigm for this organ and others is that fluxes of alkali and alkaline earth metals are required
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Journal of medicinal chemistry, 48(5), 1314-1317 (2005-03-04)
Allosteric inhibition of the hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase enzyme has recently emerged as a viable strategy toward blocking replication of viral RNA in cell-based systems. We report here a novel class of allosteric inhibitor of NS5B
Hengye Li et al.
Analytica chimica acta, 985, 91-100 (2017-09-03)
4-Carboxy-benzoboroxole was designed and synthesized. It was then combined with the modification effect of polyethyleneimine (PEI) for the preparation of boronate affinity silica stationary phase. The stationary phase showed improved binding strength with dissociation constant (K
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