Cas no 33746-94-0 (2-Buten-1-ol, 4-bromo-, acetate, (2E)-)

2-Buten-1-ol, 4-bromo-, acetate, (2E)- structure
33746-94-0 structure
Product Name:2-Buten-1-ol, 4-bromo-, acetate, (2E)-
CAS No:33746-94-0
MF:C6H11BrO3
MW:211.053741693497
CID:1459968
PubChem ID:71447159
Update Time:2025-04-20

2-Buten-1-ol, 4-bromo-, acetate, (2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Buten-1-ol, 4-bromo-, acetate, (2E)-
    • acetic acid,4-bromobut-2-en-1-ol
    • DTXSID80855494
    • 33746-94-0
    • Acetic acid--4-bromobut-2-en-1-ol (1/1)
    • Inchi： 1S/C4H7BrO.C2H4O2/c5-3-1-2-4-6;1-2(3)4/h1-2,6H,3-4H2;1H3,(H,3,4)
    • InChI Key： BFPKHMRFBGDUNM-UHFFFAOYSA-N
    • SMILES： BrCC=CCO.OC(C)=O

Computed Properties

  • Exact Mass: 209.98913
  • Monoisotopic Mass: 209.98916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 73.8
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

2-Buten-1-ol, 4-bromo-, acetate, (2E)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Bromine Solvents: Acetic acid
Reference
Comparison of the electrophilic and free-radical addition of halogens with hexafluoro-1,3-butadiene and 1,3-butadiene
Shellhamer, Dale F.; et al, Journal of Fluorine Chemistry, 2003, 123(2), 171-176

Production Method 2

Reaction Conditions
1.1 Solvents: Carbon tetrachloride
2.1 Reagents: Bromine Solvents: Acetic acid
Reference
Comparison of the electrophilic and free-radical addition of halogens with hexafluoro-1,3-butadiene and 1,3-butadiene
Shellhamer, Dale F.; et al, Journal of Fluorine Chemistry, 2003, 123(2), 171-176

2-Buten-1-ol, 4-bromo-, acetate, (2E)- Raw materials

2-Buten-1-ol, 4-bromo-, acetate, (2E)- Preparation Products

2-Buten-1-ol, 4-bromo-, acetate, (2E)- Related Literature

33746-94-0 (2-Buten-1-ol, 4-bromo-, acetate, (2E)-) Related Products

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