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CS-W001157 4
Total: USD 88.00

SQ 20650

  • CAS No. 35981-68-1

  • Cat. No. CS-0026868
  • Molecule weight204.22
  • Purity≥98%
  • MDL No.MFCD00869262

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

SQ 20650|CS-0026868

Structure of 35981-68-1

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General Information

  • CAS No. 35981-68-1
  • Cat. No. CS-0026868
  • Purity ≥98%
  • MDL No. MFCD00869262
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₃
  • Molecular Weight 204.22
  • Synonym(s) 4-(Cyclopropylcarbonyl)benzeneacetic acid; 2-(4-(Cyclopropanecarbonyl)phenyl)acetic acid
  • SMILES O=C(C1CC1)C2=CC=C(CC(O)=O)C=C2

Synthesis

  • Route1
    • null|null
      169280-08-4
    • null|null
      169280-07-3
    • ~%
    • SQ 20650|CS-0026868
      35981-68-1

    References

    • Aventis Pharmaceuticals Inc. Patent: US6407119 B1, 2002 ; Location in patent: Page column 24 ;
  • Route2
    • null|null
      35981-67-0
    • ~%
    • SQ 20650|CS-0026868
      35981-68-1

    References

    • Rovnyak,G. et al. Journal of Medicinal Chemistry, 1973 , vol. 16, # 5 p. 487 - 490
  • Route3
    • (4-(Bromomethyl)phenyl)(cyclopropyl)methanone|CS-0696127
      35981-66-9
    • ~%
    • SQ 20650|CS-0026868
      35981-68-1

    References

    • Rovnyak,G. et al. Journal of Medicinal Chemistry, 1973 , vol. 16, # 5 p. 487 - 490

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9064
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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