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CS-W001157 4
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3-Cyclohexylpropanoic acid

  • CAS No. 701-97-3

  • Cat. No. CS-W018002
  • Purity≥95%
  • MDL No.MFCD00001527

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

3-Cyclohexylpropanoic acid|CS-W018002

Structure of 701-97-3

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General Information

  • CAS No. 701-97-3
  • Cat. No. CS-W018002
  • Purity ≥95%
  • MDL No. MFCD00001527
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.23
  • Synonym(s) 3-Cyclohexylpropionic Acid
  • SMILES O=C(O)CCC1CCCCC1

Description

3-Cyclohexanepropionic acid can be used: As a starting material in the synthesis of 2-[(1,2,4-triazol-3-yl)thio]acetamide derivatives for in vitro paraoxonase-1 (PON1) studies.To synthesize chemical intermediates such as cyclohexanepropanenitrile , cyclohexanepropanamide , cyclohexanepropanol , and 1-oxaspiro[4.5]decan-2-one .

Application

3-Cyclohexylpropanoic acid serves as a versatile building block in medicinal chemistry and organic synthesis, enabling the construction of bioactive scaffolds through standard carboxylic acid transformations. Its aliphatic chain with a pendant cyclohexyl group offers favorable lipophilicity and conformational rigidity, enhancing membrane permeability in drug candidates. The compound exhibits excellent bench stability, facilitates straightforward derivatization via esterification, amide coupling, or reduction, and is compatible with a wide range of functional groups, making it well-suited for iterative synthesis and scale-up processes.

Synthesis

  • Route1
    • Hydrocinnamic acid, 99%|CS-1269054
      501-52-0
    • ~59%
    • In-stock
      3-Cyclohexylpropanoic acid|CS-W018002
      701-97-3

    References

    • Bogatskii, A. V.; Kondrat'eva, R. V.; Galatina, A. I.; Novikova, N. S. Journal of Organic Chemistry USSR (English Translation), 1986 , vol. 22, # 7 p. 1286 - 1290 Zhurnal Organicheskoi Khimii, 1986 , vol. 22, # 7 p. 1427 - 1432
  • Route2

    References

    • Porter, Ned A.; Rosenstein, Ian J.; Breyer, Robert A.; Bruhnke, John D.; Wu, Wen-Xue; McPhail, Andrew T. Journal of the American Chemical Society, 1992 , vol. 114, # 20 p. 7664 - 7676
  • Route3

    References

    • Davies, Antony J.; Scott, Jeremy P.; Bishop, Brian C.; Brands, Karel M. J.; Brewer, Sarah E.; DaSilva, Jimmy O.; Dormer, Peter G.; Dolling, Ulf-H.; Gibb, Andrew D.; Hammond, Deborah C.; Lieberman, David R.; Palucki, Michael; Payack, Joseph F. Journal of Organic Chemistry, 2007 , vol. 72, # 13 p. 4864 - 4871

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4315
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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