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CS-W001157 4
Total: USD 88.00

3-oxo-6-Heptenoic acid methyl ester

  • CAS No. 30414-57-4

  • Cat. No. CS-0234364
  • Purity≥98%
  • MDL No.None

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

 3-oxo-6-Heptenoic acid methyl ester|CS-0234364

Structure of 30414-57-4

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General Information

  • CAS No. 30414-57-4
  • Cat. No. CS-0234364
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₃
  • Molecular Weight 156.18
  • Synonym(s) Methyl 3-oxo-6-heptenoate
  • SMILES C=CCCC(CC(OC)=O)=O

Synthesis

  • Route1

    References

    • Kende, Andrew S; Martin Hernando, Jose I; Milbank, Jared B.J Tetrahedron, 2002 , vol. 58, # 1 p. 61 - 74
  • Route2

    References

    • Takeda Pharmaceutical Company Limited Patent: EP1867331 A1, 2007 ; Location in patent: Page/Page column 52 ; EP 1867331 A1
  • Route3
    • null|null
      109-49-9
    • null|null
      616-38-6
    • ~86%
    •  3-oxo-6-Heptenoic acid methyl ester|CS-0234364
      30414-57-4

    References

    • Taber, Douglass F.; Sheth, Ritesh B.; Tian, Weiwei Journal of Organic Chemistry, 2009 , vol. 74, # 6 p. 2433 - 2437

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P370+P378-P403+P233-P403+P235-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.0848
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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