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CS-W001157 4
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2-[(4-chlorophenyl)formamido]propanoic acid

  • CAS No. 108462-95-9

  • Cat. No. CS-0218119
  • Purity≥97%
  • MDL No.None

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

2-[(4-chlorophenyl)formamido]propanoic acid|CS-0218119

Structure of 108462-95-9

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General Information

  • CAS No. 108462-95-9
  • Cat. No. CS-0218119
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClNO₃
  • Molecular Weight 227.64
  • Synonym(s) 2-[(4-chlorobenzoyl)amino]propanoic Acid
  • SMILES CC(NC(C1=CC=C(Cl)C=C1)=O)C(O)=O

Synthesis

  • Route1
    • L-Alanine Enalapril  Impurity|CS-0229434
      56-41-7
    • null|null
      122-01-0
    • ~84%
    • 2-[(4-chlorophenyl)formamido]propanoic acid|CS-0218119
      108462-95-9

    References

    • BRISTOL-MYERS SQUIBB COMPANY; ZHAO, Guohua; WASHBURN, William N.; MIGNONE, James Patent: WO2010/42674 A1, 2010 ; Location in patent: Page/Page column 112 ; WO 2010/042674 A1
  • Route2
    • (S)-2-(4-Chloro-Benzoylamino)-propionic acid ethyl ester|CS-0761258
      128062-24-8
    • ~61%
    • 2-[(4-chlorophenyl)formamido]propanoic acid|CS-0218119
      108462-95-9

    References

    • Weber, Manuel; Jautze, Sascha; Frey, Wolfgang; Peters, Rene Chemistry - A European Journal, 2012 , vol. 18, # 46 p. 14792 - 14804
  • Route3

    References

    • Sain, B.; Sandhu, J. S. Journal of Heterocyclic Chemistry, 1986 , vol. 23, p. 1007 - 1010

Safety Information

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

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.5429
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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