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CS-W001157 4
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(E)-4-Bromobut-2-enoic acid

  • CAS No. 13991-36-1

  • Cat. No. CS-0020044
  • Purity≥95%
  • MDL No.MFCD00082701

*For research and further manufacturing use only, not for direct human use.

(E)-4-Bromobut-2-enoic acid|CS-0020044

Structure of 13991-36-1

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General Information

  • CAS No. 13991-36-1
  • Cat. No. CS-0020044
  • Purity ≥95%
  • MDL No. MFCD00082701
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅BrO₂
  • Molecular Weight 164.99
  • Synonym(s) 4-Bromocrotonic acid
  • SMILES O=C(O)/C=C/CBr

Description

(E)-4-Bromobut-2-enoic acid features a conjugated enoic acid scaffold with a bromine atom at the terminal carbon, enabling direct functionalization in transition-metal-catalyzed couplings. The (E)-configuration ensures defined stereochemistry for downstream synthesis of bioactive molecules and polymer precursors.

Synthesis

  • Route1

    References

    • Ji, Xun; Peng, Ting; Zhang, Xu; Li, Jian; Yang, Wei; Tong, Linjiang; Qu, Rong; Jiang, Hualiang; Ding, Jian; Xie, Hua; Liu, Hong Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2366 - 2378
  • Route2

    References

    • Liu, Yuan; Hazzard, Christopher; Eustaquio, Alessandra S.; Reynolds, Kevin A.; Moore, Bradley S. Journal of the American Chemical Society, 2009 , vol. 131, # 30 p. 10376 - 10377
  • Route3

    References

    • Salomon, Claudio J.; Mata, Ernesto G.; Mascaretti, Oreste A. Journal of Organic Chemistry, 1994 , vol. 59, # 24 p. 7259 - 7266

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.0221
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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