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Methyl 1-cyanocyclohexane-1-carboxylate

  • CAS No. 58920-80-2

  • Cat. No. CS-0252076
  • Molecule weight167.21
  • Purity≥98%
  • MDL No.None

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

Methyl 1-cyanocyclohexane-1-carboxylate|CS-0252076

Structure of 58920-80-2

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General Information

  • CAS No. 58920-80-2
  • Cat. No. CS-0252076
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂
  • Molecular Weight 167.21
  • Synonym(s) Methyl 1-cyanocyclohexanecarboxylate
  • SMILES COC(=O)C1(CCCCC1)C#N

Synthesis

  • Route1
    • null|null
      17640-15-2
    • 1-Bromocyclohexane-1-carbonitrile|CS-0968447
      676132-35-7
    • ~80%
    • In-stock
      Methyl 1-cyanocyclohexane-1-carboxylate|CS-0252076
      58920-80-2

    References

    • Fleming, Fraser F.; Zhang, Zhiyu; Liu, Wang; Knochel, Paul Journal of Organic Chemistry, 2005 , vol. 70, # 6 p. 2200 - 2205
  • Route2
    • In-stock
      Methyl 1-bromocyclohexanecarboxylate|CS-0150908
      3196-23-4
    • null|null
      19158-51-1
    • ~91%
    • In-stock
      Methyl 1-cyanocyclohexane-1-carboxylate|CS-0252076
      58920-80-2

    References

    • Ankner, Tobias; Friden-Saxin, Maria; Pemberton, Nils; Seifert, Tina; Grotli, Morten; Luthman, Kristina; Hilmersson, Goeran Organic Letters, 2010 , vol. 12, # 10 p. 2210 - 2213
  • Route3
    • null|null
      17640-15-2
    • null|null
      1360557-39-6
    • ~92%
    • In-stock
      Methyl 1-cyanocyclohexane-1-carboxylate|CS-0252076
      58920-80-2

    References

    • Nath, Dinesh; Fleming, Fraser F. Angewandte Chemie - International Edition, 2011 , vol. 50, # 49 p. 11790 - 11793

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

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.63348
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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