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CS-W001157 4
Total: USD 88.00

Ethyl 4-methylpent-2-ynoate

  • CAS No. 38491-47-3

  • Cat. No. CS-0511602
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-methylpent-2-ynoate|CS-0511602

Structure of 38491-47-3

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General Information

  • CAS No. 38491-47-3
  • Cat. No. CS-0511602
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) 2-Pentynoic acid, 4-methyl-, ethyl ester
  • SMILES CC(C)C#CC(OCC)=O

Synthesis

  • Route1
    • null|null
      598-23-2
    • null|null
      541-41-3
    • ~71%
    • Ethyl 4-methylpent-2-ynoate|CS-0511602
      38491-47-3

    References

    • Golden, Jennifer E.; Sanders, Shanina D.; Muller, Kristine M.; Buerli, Roland W. Tetrahedron Letters, 2008 , vol. 49, # 5 p. 794 - 798
  • Route2
    • null|null
      32363-92-1
    • null|null
      541-41-3
    • ~94%
    • Ethyl 4-methylpent-2-ynoate|CS-0511602
      38491-47-3

    References

    • Organ; Bratovanov Tetrahedron Letters, 2000 , vol. 41, # 36 p. 6945 - 6949
  • Route3
    • null|null
      541-41-3
    • ~%
    • Ethyl 4-methylpent-2-ynoate|CS-0511602
      38491-47-3

    References

    • ELI LILLY AND COMPANY Patent: WO2007/140174 A2, 2007 ; Location in patent: Page/Page column 18 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.2089
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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