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tert-Butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate

  • CAS No. 847615-14-9

  • Cat. No. CS-0133027
  • Molecule weight365.26
  • Purity≥97%
  • MDL No.MFCD11227118

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

tert-Butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate|CS-0133027

Structure of 847615-14-9

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General Information

  • CAS No. 847615-14-9
  • Cat. No. CS-0133027
  • Purity ≥97%
  • MDL No. MFCD11227118
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₁BrN₂O₂
  • Molecular Weight 365.26
  • Synonym(s) tert-Butyl 4-(4-bromophenyl)-4-cyano-1-piperidinecarboxylate
  • SMILES O=C(N1CCC(C#N)(C2=CC=C(Br)C=C2)CC1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Mitsubishi Tanabe Pharma Corporation Patent: EP1956009 A1, 2008 ; Location in patent: Page/Page column 99 ;
  • Route2
    • null|null
      118753-70-1
    • ~%
    • tert-Butyl 4-(4-bromophenyl)-4-cyanopiperidine-1-carboxylate|CS-0133027
      847615-14-9

    References

    • ASTEX THERAPEUTICS LIMITED; THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL; CANCER RESEARCH TECHNOLOGY LIMITED; ASTRAZENECA AB Patent: WO2006/136830 A1, 2006 ; Location in patent: Page/Page column 182-183 ; WO 2006/136830 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H317-H319-H410
Precautionary Statements : P261-P261-P273-P280-P302+P352-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   4.24138
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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