Cas no 1131594-19-8 (Ethyl 3-bromo-4-(tert-butyl)benzoate)

Ethyl 3-bromo-4-(tert-butyl)benzoate is a brominated aromatic ester featuring a tert-butyl substituent, offering unique reactivity and steric properties for synthetic applications. The bromine atom at the 3-position provides a versatile handle for further functionalization via cross-coupling reactions, such as Suzuki or Negishi couplings, while the tert-butyl group enhances stability and influences electronic effects. This compound is particularly useful as an intermediate in pharmaceutical and agrochemical synthesis, where its structural motifs are valuable for constructing complex molecules. Its ester functionality also allows for straightforward hydrolysis or transesterification, enabling flexible downstream modifications. Suitable for use in controlled environments, it is handled with standard precautions for brominated compounds.
Ethyl 3-bromo-4-(tert-butyl)benzoate structure
1131594-19-8 structure
Product Name:Ethyl 3-bromo-4-(tert-butyl)benzoate
CAS No:1131594-19-8
MF:C13H17BrO2
MW:285.176883459091
CID:1030480
PubChem ID:45072109
Update Time:2025-06-08

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

Names and Identifiers

    • Ethyl 3-bromo-4-(tert-butyl)benzoate
    • ethyl 3-bromo-4-tert-butylbenzoate
    • Ethyl3-bromo-4-(tert-butyl)benzoate
    • DTXSID70662376
    • 1131594-19-8
    • DB-370320
    • AKOS015843455
    • Inchi： 1S/C13H17BrO2/c1-5-16-12(15)9-6-7-10(11(14)8-9)13(2,3)4/h6-8H,5H2,1-4H3
    • InChI Key： RAFYNCLWNDNDKY-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)OCC)C=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 284.04119g/mol
  • Monoisotopic Mass: 284.04119g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 245
  • 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: 4.5
  • Topological Polar Surface Area: 26.3?2

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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