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CS-W001157 4
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(S)-1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate

  • CAS No. 958635-19-3

  • Cat. No. CS-B0641
  • Molecule weight344.40
  • Purity≥98%
  • MDL No.MFCD18089802

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

(S)-1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate|CS-B0641

Structure of 958635-19-3

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General Information

  • CAS No. 958635-19-3
  • Cat. No. CS-B0641
  • Purity ≥98%
  • MDL No. MFCD18089802
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₈N₂O₆
  • Molecular Weight 344.40
  • Synonym(s) 1,4-di-tert-butyl 2-methyl (2S)-piperazine-1,2,4-tricarboxylate
  • SMILES O=C(OC(C)(C)C)N1C[C@@H](C(OC)=O)N(C(OC(C)(C)C)=O)CC1

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; JIMENEZ, Juan-Miguel; STUDLEY, John Patent: WO2010/11772 A2, 2010 ; Location in patent: Page/Page column 110; 111 ; WO 2010/011772 A2
  • Route2

    References

    • Gao, Hongwu; Renslo, Adam R. Journal of Organic Chemistry, 2007 , vol. 72, # 22 p. 8591 - 8592
  • Route3
    • (2S)-Piperazine-2-carboxylic acid|CS-0001876
      147650-70-2
    • ~%
    • (S)-1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate|CS-B0641
      958635-19-3

    References

    • Gao, Hongwu; Renslo, Adam R. Journal of Organic Chemistry, 2007 , vol. 72, # 22 p. 8591 - 8592

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

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Computational Chemistry Data

  • TPSA   85.38
  • LogP   2.0158
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   1

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