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CS-W001157 4
Total: USD 88.00

4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate

  • CAS No. 81930-17-8

  • Cat. No. CS-W011876
  • Purity≥98%
  • MDL No.MFCD09750943

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

4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate|CS-W011876

Structure of 81930-17-8

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General Information

  • CAS No. 81930-17-8
  • Cat. No. CS-W011876
  • Purity ≥98%
  • MDL No. MFCD09750943
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₅NO₂
  • Molecular Weight 347.46
  • Synonym(s) p-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate
  • SMILES O=C(OC1=CC=C(C#N)C=C1)C2=CC=C([C@H]3CC[C@H](CCC)CC3)C=C2

Synthesis

  • Route1
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • null|null
      81005-00-7
    • ~63%
    • 4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate|CS-W011876
      81930-17-8

    References

    • Bezborodov, V. S.; Bubel', O. N.; Konovalov, V. A.; Ptashnikov, Yu. L. Journal of Organic Chemistry USSR (English Translation), 1983 , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 8 p. 1669 - 1674
  • Route2
    • null|null
      71-43-2
    • ~%
    • 4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate|CS-W011876
      81930-17-8

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, , vol. 19, # 8 p. 1669 - 1674
  • Route3
    • null|null
      1655-03-4
    • ~%
    • 4-Cyanophenyl 4-(trans-4-propylcyclohexyl)benzoate|CS-W011876
      81930-17-8

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 19, p. 1479 - 1483 Zhurnal Organicheskoi Khimii, , vol. 19, # 8 p. 1669 - 1674

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   5.85138
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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