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CS-W001157 4
Total: USD 88.00

1-(Tert-butoxycarbonyl)-4-(4-chlorophenyl)piperidine-4-carboxylic acid

  • CAS No. 644981-94-2

  • Cat. No. CS-0466069
  • Purity≥98%
  • MDL No.None

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

1-(Tert-butoxycarbonyl)-4-(4-chlorophenyl)piperidine-4-carboxylic acid|CS-0466069

Structure of 644981-94-2

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General Information

  • CAS No. 644981-94-2
  • Cat. No. CS-0466069
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₂ClNO₄
  • Molecular Weight 339.81
  • Synonym(s) 1,4-Piperidinedicarboxylic acid, 4-(4-chlorophenyl)-,1-(1,1-dimethylethyl) ester
  • SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)O

Synthesis

  • Route1
    • tert-Butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate|CS-0133031
      218451-34-4
    • ~88%
    • 1-(Tert-butoxycarbonyl)-4-(4-chlorophenyl)piperidine-4-carboxylic acid|CS-0466069
      644981-94-2

    References

    • Luly, Jay R.; Nakasato, Yoshisuke; Ohshima, Etsuo; Harriman, Geraldine C.B.; Carson, Kenneth G.; Ghosh, Shomir; Elder, Amy M.; Mattia, Karen M. Patent: US2005/70549 A1, 2005 ;
  • Route2

    References

    • ASTEX THERAPEUTICS LIMITED; THE INSTITUTE OF CANCER RESEARCH:ROYAL CANCER HOSPITAL; CANCER RESEARCH TECHNOLOGY LIMITED Patent: WO2007/125321 A2, 2007 ; Location in patent: Page/Page column 132 ; WO 2007/125321 A2
  • Route3

    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 147 ; 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-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   66.84
  • LogP   3.6933
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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