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CS-W001157 4
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Tert-butyl 4-((2-nitrobenzyl)amino)piperidine-1-carboxylate

  • CAS No. 87120-79-4

  • Cat. No. CS-0326184
  • Purity≥95%
  • MDL No.MFCD14156034

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

Tert-butyl 4-((2-nitrobenzyl)amino)piperidine-1-carboxylate|CS-0326184

Structure of 87120-79-4

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General Information

  • CAS No. 87120-79-4
  • Cat. No. CS-0326184
  • Purity ≥95%
  • MDL No. MFCD14156034
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₅N₃O₄
  • Molecular Weight 335.40
  • Synonym(s) tert-Butyl 4-(2-nitrobenzylamino)piperidine-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CC=CC=C2[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Gutierrez, Corey; Termin, Andreas; Hadida-Ruah, Sara; Joshi, Pramod; Bergeron, Daniele; Yoo, Sanghee; Binch, Hayley; Come, Jon; Cao, Jingrong; Nanthakumar, Suganthi Patent: US2008/4261 A1, 2008 ; Location in patent: Page/Page column 138 ; US 20080004261 A1
  • Route2

    References

    • NEUROGEN CORPORATION Patent: WO2008/60568 A2, 2008 ; Location in patent: Page/Page column 66 ; WO 2008/060568 A2
  • Route3

    References

    • Obase; Takai; Teranishi; Nakamizo Journal of Heterocyclic Chemistry, 1983 , vol. 20, # 3 p. 565 - 573

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   84.71
  • LogP   3.0839
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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