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CS-W001157 4
Total: USD 88.00

4-Methyl-4-nitropentanoic acid

  • CAS No. 32827-16-0

  • Cat. No. CS-0308960
  • Purity≥95%
  • MDL No.None

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

4-Methyl-4-nitropentanoic acid|CS-0308960

Structure of 32827-16-0

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General Information

  • CAS No. 32827-16-0
  • Cat. No. CS-0308960
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₄
  • Molecular Weight 161.16
  • Synonym(s) 4-methyl-4-nitro-pentanoic acid
  • SMILES CC(C)(CCC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • SANWA KAGAKU KENKYUSHO CO., LTD. Patent: EP1595866 A1, 2005 ; Location in patent: Page/Page column 12 ;
  • Route2
    • Ethyl 4-methyl-4-nitropentanoate|CS-1710247
      23102-02-5
    • ~98%
    • 4-Methyl-4-nitropentanoic acid|CS-0308960
      32827-16-0

    References

    • SCM Corporation Patent: US4304942 A1, 1981 ;
  • Route3
    • null|null
      627539-06-4
    • ~88%
    • 4-Methyl-4-nitropentanoic acid|CS-0308960
      32827-16-0

    References

    • Newkome, George R.; Moorefield, Charles N.; Epperson, Jon D. European Journal of Organic Chemistry, 2003 , # 18 p. 3666 - 3672

Safety Information

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

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   0.9065
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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