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1-(Ethoxycarbonyl)cyclopentane-1-carboxylic acid

  • CAS No. 54378-87-9

  • Cat. No. CS-0465805
  • Molecule weight186.21
  • Purity≥98%
  • MDL No.MFCD20484499

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

1-(Ethoxycarbonyl)cyclopentane-1-carboxylic acid|CS-0465805

Structure of 54378-87-9

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General Information

  • CAS No. 54378-87-9
  • Cat. No. CS-0465805
  • Purity ≥98%
  • MDL No. MFCD20484499
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₄
  • Molecular Weight 186.21
  • Synonym(s) 1,1-Cyclopentanedicarboxylic acid monoethyl ester
  • SMILES C1(CCCC1)(C(=O)O)C(=O)OCC

Synthesis

  • Route1

    References

    • Paulsen, Hans; Maass, Uwe Chemische Berichte, 1981 , vol. 114, # 1 p. 346 - 358
  • Route2

    References

    • Boehringer Mannheim Italia S.p.A. Patent: US5453423 A1, 1995 ;
  • Route3
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      18721-67-0
    • ~%
    • 1-(Ethoxycarbonyl)cyclopentane-1-carboxylic acid|CS-0465805
      54378-87-9

    References

    • Yang, Michael G.; Shi, Jian-Liang; Modi, Dilip P.; Wells, Jennifer; Cochran, Brian M.; Wolf, Mark A.; Thompson, Lorin A.; Ramanjulu, Mercy M.; Roach, Arthur H.; Zaczek, Robert; Robertson, David W.; Wexler, Ruth R.; Olson, Richard E. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 14 p. 3910 - 3915

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.1945
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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