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CS-W001157 4
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3-Cyclohexylpropanoic acid

  • CAS No. 701-97-3

  • Cat. No. CS-W018002
  • Molecule weight156.23
  • 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

Synthesizing 3-cyclohexylpropionyl chloride via acid chlorination, 3-Cyclohexanepropionic acid (CAS 701-97-3) serves as a critical building block for pharmaceutical intermediates and pineapple ester derivatives in organic synthesis.

Application

3-Cyclohexanepropionic acid (CAS 701-97-3) drives the synthesis of 2-[(1,2,4-triazol-3-yl)thio]acetamide derivatives used in in vitro paraoxonase-1 activity profiling. It serves as a key building block for diverse intermediates. Researchers leverage this scaffold to access cyclohexanepropanenitrile, cyclohexanepropanamide, cyclohexanepropanol, and 1-oxaspiro[4.5]decan-2-one with high efficiency.

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

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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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