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CS-W001157 4
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tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate

  • CAS No. 193902-81-7

  • Cat. No. CS-0208156
  • Molecule weight311.81
  • Purity≥97%
  • MDL No.MFCD11519255

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

tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate|CS-0208156

Structure of 193902-81-7

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General Information

  • CAS No. 193902-81-7
  • Cat. No. CS-0208156
  • Purity ≥97%
  • MDL No. MFCD11519255
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂ClN₃O₂
  • Molecular Weight 311.81
  • Synonym(s) 4-(4-Boc-piperazin-1-yl)-3-chloroaniline
  • SMILES CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)Cl

Synthesis

  • Route1
    • 1,1-Dimethylethyl 4-(2-chloro-4-nitrophenyl)-1-piperazinecarboxylate|CS-0647627
      193902-80-6
    • ~72%
    • tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate|CS-0208156
      193902-81-7

    References

    • Sankyo Company, Limited Patent: EP1764360 A1, 2007 ; Location in patent: Page/Page column 161 ; EP 1764360 A1
  • Route2
    • 2-Chloro-1-fluoro-4-nitrobenzene Afatinib Impurity|CS-0167290
      350-30-1
    • ~%
    • tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate|CS-0208156
      193902-81-7

    References

    • VanderWel, Scott N.; Harvey, Patricia J.; McNamara, Dennis J.; Repine, Joseph T.; Keller, Paul R.; Quin III, John; Booth, R. John; Elliott, William L.; Dobrusin, Ellen M.; Fry, David W.; Toogood, Peter L. Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2371 - 2387
  • Route3
    • N-Boc-piperazine Olaparib Impurity|CS-0214004
      57260-71-6
    • ~%
    • tert-Butyl 4-(4-amino-2-chlorophenyl)piperazine-1-carboxylate|CS-0208156
      193902-81-7

    References

    • VanderWel, Scott N.; Harvey, Patricia J.; McNamara, Dennis J.; Repine, Joseph T.; Keller, Paul R.; Quin III, John; Booth, R. John; Elliott, William L.; Dobrusin, Ellen M.; Fry, David W.; Toogood, Peter L. Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2371 - 2387

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   58.8
  • LogP   2.9793
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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