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CS-W001157 4
Total: USD 88.00

(E)-4-isopropoxy-4-oxobut-2-enoic acid

  • CAS No. 7529-87-5

  • Cat. No. CS-0455498
  • Purity≥98%
  • MDL No.None

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

(E)-4-isopropoxy-4-oxobut-2-enoic acid|CS-0455498

Structure of 7529-87-5

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General Information

  • CAS No. 7529-87-5
  • Cat. No. CS-0455498
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₄
  • Molecular Weight 158.15
  • Synonym(s) Monoisopropyl Fumarate
  • SMILES CC(C)OC(=O)/C=C/C(=O)O

Synthesis

  • Route1

    References

    • Van Veldhoven; Blad; Artsen; Klopman; Wolfram; Abdelkadir; Lane; Brussee; Ijzerman Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 9 p. 2736 - 2739
  • Route2
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    • (E)-4-isopropoxy-4-oxobut-2-enoic acid|CS-0455498
      7529-87-5

    References

    • Bayer Aktiengesellschaft Patent: US4515974 A1, 1985 ;
  • Route3
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      93606-08-7
    • ~%
    • (E)-4-isopropoxy-4-oxobut-2-enoic acid|CS-0455498
      7529-87-5

    References

    • Schroeter,S.H. et al. Justus Liebigs Annalen der Chemie, 1966 , vol. 697, p. 42 - 61

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.5788
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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