Cas no 14034-08-3 (Methyl 3-bromo-4-(tert-butyl)benzoate)

Methyl 3-bromo-4-(tert-butyl)benzoate is a brominated aromatic ester featuring a tert-butyl substituent at the para position relative to the ester group. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The bromine atom at the meta position offers a reactive site for further functionalization via cross-coupling reactions, such as Suzuki or Heck couplings. The tert-butyl group enhances steric and electronic properties, influencing reactivity and selectivity in downstream transformations. Its stable ester functionality ensures compatibility with a range of reaction conditions, making it a valuable building block for complex molecule synthesis.
Methyl 3-bromo-4-(tert-butyl)benzoate structure
14034-08-3 structure
Product Name:Methyl 3-bromo-4-(tert-butyl)benzoate
CAS No:14034-08-3
MF:C12H15BrO2
MW:271.150303125381
MDL:MFCD09966022
CID:1030501
PubChem ID:11959028
Update Time:2025-06-07

Methyl 3-bromo-4-(tert-butyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-bromo-4-(tert-butyl)benzoate
    • benzoic acid, 3-bromo-4-(1,1-dimethylethyl)-, methyl ester
    • methyl 3-bromo-4-t-butylbenzoate
    • METHYL 3-BROMO-4-TERT-BUTYLBENZOATE
    • I11565
    • MFCD09966022
    • 14034-08-3
    • DB-370811
    • A885873
    • CS-W007018
    • KXCQBZYCOHEWHO-UHFFFAOYSA-N
    • SCHEMBL2240131
    • Methyl 3-bromo-4-tert-butyl-benzoate
    • DS-4728
    • AKOS015852367
    • Methyl3-bromo-4-(tert-butyl)benzoate
    • DTXSID40474761
    • MDL： MFCD09966022
    • Inchi： 1S/C12H15BrO2/c1-12(2,3)9-6-5-8(7-10(9)13)11(14)15-4/h5-7H,1-4H3
    • InChI Key： KXCQBZYCOHEWHO-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)OC)C=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 270.02555
  • Monoisotopic Mass: 270.02554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 304.077°C at 760 mmHg
  • Flash Point: 137.701°C
  • Refractive Index: 1.522
  • PSA: 26.3

Methyl 3-bromo-4-(tert-butyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
TR769-1g
Methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95+%
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 1941CNY 2021-05-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M51030-1g
Methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
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Alichem
A019093168-1g
Methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
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 249.90 USD 2021-06-17
Chemenu
CM127371-1g
methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
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 $254 2023-01-09
Chemenu
CM127371-250mg
methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
250mg
 $101 2023-01-09
Chemenu
CM127371-5g
methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
5g
 $763 2023-01-09
Chemenu
CM127371-10g
methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
10g
 $1274 2023-01-09
eNovation Chemicals LLC
Y0987216-5g
Methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
5g
 $1800 2024-08-02
Chemenu
CM127371-1g
methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 95%
1g
 $239 2021-06-17
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1064866-100mg
Methyl 3-bromo-4-(tert-butyl)benzoate
 14034-08-3 98%
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