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CS-W001157 4
Total: USD 88.00

3-Chloro-2,2-dimethylbut-3-enoic acid

  • CAS No. 56663-75-3

  • Cat. No. CS-M0093
  • Purity≥95%
  • MDL No.MFCD03093340

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

3-Chloro-2,2-dimethylbut-3-enoic acid|CS-M0093

Structure of 56663-75-3

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General Information

  • CAS No. 56663-75-3
  • Cat. No. CS-M0093
  • Purity ≥95%
  • MDL No. MFCD03093340
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉ClO₂
  • Molecular Weight 148.59
  • Synonym(s) 2,2-Dimethyl-3-chloro-3-butenoic Acid
  • SMILES O=C(O)C(C)(C)C(Cl)=C

Synthesis

  • Route1
    • Methyl 3-chloro-2,2-dimethylbut-3-enoate|CS-M0096
      56663-74-2
    • ~70%
    • In-stock
      3-Chloro-2,2-dimethylbut-3-enoic acid|CS-M0093
      56663-75-3

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 97, p. 4825 - 4836
  • Route3
    • Ethyl 2,2-dimethyl-3-oxobutanoate|CS-0134663
      597-04-6
    • ~%
    • In-stock
      3-Chloro-2,2-dimethylbut-3-enoic acid|CS-M0093
      56663-75-3

    References

    • Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 84, p. 1088 Chemische Berichte, , vol. 10, p. 1177

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8497
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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