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CS-W001157 4
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Ethyl 2-cyano-2-propylpentanoate

  • CAS No. 66546-90-5

  • Cat. No. CS-0466125
  • Molecule weight197.27
  • Purity≥98%
  • MDL No.MFCD00128191

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

Ethyl 2-cyano-2-propylpentanoate|CS-0466125

Structure of 66546-90-5

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General Information

  • CAS No. 66546-90-5
  • Cat. No. CS-0466125
  • Purity ≥98%
  • MDL No. MFCD00128191
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉NO₂
  • Molecular Weight 197.27
  • Synonym(s) Pentanoic acid, 2-cyano-2-propyl-, ethyl ester
  • SMILES CCCC(CCC)(C#N)C(=O)OCC

Synthesis

  • Route1
    • null|null
      107-08-4
    • null|null
      105-56-6
    • ~93%
    • Ethyl 2-cyano-2-propylpentanoate|CS-0466125
      66546-90-5

    References

    • Varie, David L.; Shih, Chuan; Hay, David A; Andis, Sherri L.; Corbett, Tom H.; Gossett, Lynn S.; Janisse, Samantha K.; Martinelli, Michael J.; Moher, Eric D.; Schultz, Richard M.; Toth, John E. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 3 p. 369 - 374
  • Route2
    • null|null
      105-56-6
    • ~%
    • Ethyl 2-cyanopentanoate|CS-0106460
      6967-47-1
    • Ethyl 2-cyano-2-propylpentanoate|CS-0466125
      66546-90-5

    References

    • Ghaib, Amar; Menager, Sabine; Verite, Philippe; Lafont, Olivier Farmaco, 2002 , vol. 57, # 2 p. 109 - 116
  • Route3
    • null|null
      141-52-6
    • null|null
      107-08-4
    • null|null
      105-56-6
    • ~%
    • Ethyl 2-cyano-2-propylpentanoate|CS-0466125
      66546-90-5

    References

    • Conrad Justus Liebigs Annalen der Chemie, 1905 , vol. 340, p. 312

Safety Information

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GHS Pictogram : 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   50.09
  • LogP   2.65968
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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