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CS-W001157 4
Total: USD 88.00

2-Cyano-4-methylpentanoic acid

  • CAS No. 18283-41-5

  • Cat. No. CS-0448906
  • Purity≥98%
  • MDL No.None

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

2-Cyano-4-methylpentanoic acid|CS-0448906

Structure of 18283-41-5

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General Information

  • CAS No. 18283-41-5
  • Cat. No. CS-0448906
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁NO₂
  • Molecular Weight 141.17
  • Synonym(s) Isobutylmalonsaeure-mononitril
  • SMILES CC(C)CC(C#N)C(=O)O

Synthesis

  • Route1
    • null|null
      372-09-8
    • null|null
      78-84-2
    • ~96%
    • 2-Cyano-4-methylpentanoic acid|CS-0448906
      18283-41-5

    References

    • PFIZER MANUFACTURING IRELAND; BURRELL, Adam James Musgrave; MARTINEZ, Carlos Alberto; MCDAID, Paul Oliver; O'NEILL, Padraig Mary; WONG, John Wing Patent: WO2012/25861 A1, 2012 ; Location in patent: Page/Page column 23-24 ; WO 2012/025861 A1
  • Route2

    References

    • PFIZER MANUFACTURING IRELAND; BURRELL, Adam James Musgrave; MARTINEZ, Carlos Alberto; MCDAID, Paul Oliver; O'NEILL, Padraig Mary; WONG, John Wing Patent: WO2012/25861 A1, 2012 ; Location in patent: Page/Page column 23 ; WO 2012/025861 A1
  • Route3
    • null|null
      7352-02-5
    • ~%
    • 2-Cyano-4-methylpentanoic acid|CS-0448906
      18283-41-5

    References

    • Gershon,H. et al. Journal of Medicinal Chemistry, 1967 , vol. 10, p. 536 - 541

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.25688
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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