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CS-W001157 4
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1-Methylcyclopropane-1-carboxylic acid

  • CAS No. 6914-76-7

  • Cat. No. CS-W000087
  • Purity≥98%
  • MDL No.MFCD00001290

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

1-Methylcyclopropane-1-carboxylic acid|CS-W000087

Structure of 6914-76-7

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General Information

  • CAS No. 6914-76-7
  • Cat. No. CS-W000087
  • Purity ≥98%
  • MDL No. MFCD00001290
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₂
  • Molecular Weight 100.12
  • Synonym(s) 1-Methylcyclopropanecarboxylic acid
  • SMILES O=C(O)C1(C)CC1

Description

1-Methylcyclopropanecarboxylic acid was used in the structure-activity studies of small carboxylic acids (SCAs). It was also used in the identification of selective orthosteric ligands for both free fatty acid receptor 2 (FFA2) and free fatty acid receptor 3 (FFA3).

Application

1-Methylcyclopropane-1-carboxylic acid serves as a rigid, sterically constrained building block for medicinal chemistry and natural product synthesis. Its cyclopropane core imparts conformational stability and enhances metabolic resistance, while the carboxylic acid functionality enables direct derivatization via standard coupling reactions. The molecule exhibits good bench stability and facilitates efficient incorporation into diverse scaffolds through amide formation, esterification, or decarboxylation protocols.

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2007/53346 A1, 2007 ; Location in patent: Page/Page column 21 ; WO 2007/053346 A1
  • Route2
    • 1-Methylcyclopropane-1-carboxylic acid methyl ester|CS-0205295
      6206-25-3
    • ~%
    • In-stock
      1-Methylcyclopropane-1-carboxylic acid|CS-W000087
      6914-76-7

    References

    • Monatshefte fuer Chemie, , vol. 42, p. 230
  • Route3
    • null|null
      1567-75-5
    • ~%
    • In-stock
      1-Methylcyclopropane-1-carboxylic acid|CS-W000087
      6914-76-7

    References

    • Bulletin de la Societe Chimique de France, , p. 1708 - 1711

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   0.8711
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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