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CS-W001157 4
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tert-Butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate

  • CAS No. 218451-34-4

  • Cat. No. CS-0133031
  • Purity≥97%
  • MDL No.MFCD11227117

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

tert-Butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate|CS-0133031

Structure of 218451-34-4

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General Information

  • CAS No. 218451-34-4
  • Cat. No. CS-0133031
  • Purity ≥97%
  • MDL No. MFCD11227117
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₁ClN₂O₂
  • Molecular Weight 320.81
  • Synonym(s) None
  • SMILES O=C(N1CCC(C#N)(C2=CC=C(Cl)C=C2)CC1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Caldwell, John J.; Davies, Thomas G.; Donald, Alastair; McHardy, Tatiana; Rowlands, Martin G.; Aherne, G. Wynne; Hunter, Lisa K.; Taylor, Kevin; Ruddle, Ruth; Raynaud, Florence I.; Verdonk, Marcel; Workman, Paul; Garrett, Michelle D.; Collins, Ian Journal of Medicinal Chemistry, 2008 , vol. 51, # 7 p. 2147 - 2157
  • Route2

    References

    • ABBOTT LABORATORIES; ABBOTT LABORATORIES TRADING (SHANGHAI) COMPANY, LTD.; WANG, Xueqing; MEYER, Michael; YAO, Betty; GUO, Tao; WEI, Guo Ping,Robert; WANG, Lijuan, Jane Patent: WO2013/10453 A1, 2013 ; Location in patent: Page/Page column 126 ;
  • Route3
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    • tert-Butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate|CS-0133031
      218451-34-4

    References

    • ASTEX THERAPEUTICS LIMITED; THE INSTITUTE OF CANCER RESEARCH:ROYAL CANCER HOSPITAL; CANCER RESEARCH TECHNOLOGY LIMITED Patent: WO2006/51290 A2, 2006 ; Location in patent: Page/Page column 120-121; 133 ; WO 2006/051290 A2

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   4.13228
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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