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CS-W001157 4
Total: USD 88.00

1-Benzyl 4-(tert-butyl) 2-methyl (S)-piperazine-1,2,4-tricarboxylate

  • CAS No. 314741-38-3

  • Cat. No. CS-0138414
  • Purity≥98%
  • MDL No.None

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

1-Benzyl 4-(tert-butyl) 2-methyl (S)-piperazine-1,2,4-tricarboxylate|CS-0138414

Structure of 314741-38-3

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General Information

  • CAS No. 314741-38-3
  • Cat. No. CS-0138414
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₆N₂O₆
  • Molecular Weight 378.42
  • Synonym(s) (S)-4-tert-butyl 1-benzyl 2-methyl piperazine-1,2,4-tricarboxylate
  • SMILES O=C(OCC1=CC=CC=C1)N2[C@@H](CN(CC2)C(OC(C)(C)C)=O)C(OC)=O

Synthesis

  • Route1
    • In-stock
      (S)-1-((Benzyloxy)carbonyl)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid|CS-0127796
      150407-69-5
    • null|null
      18107-18-1
    • ~94%
    • 1-Benzyl 4-(tert-butyl) 2-methyl (S)-piperazine-1,2,4-tricarboxylate|CS-0138414
      314741-38-3

    References

    • ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.; BRANCA, Danila; FERRIGNO, Federica; HERNANDO, Jose, Ignacio, Martin; JONES, Philip; KINZEL, Olaf; MALANCONA, Savina; MURAGLIA, Ester; PALUMBI, Maria, Cecilia; PESCATORE, Giovanna; SCARPELLI, Rita Patent: WO2010/23480 A1, 2010 ; Location in patent: Page/Page column 41 ;
  • Route2

    References

    • Blizzard, Timothy A.; Singh, Sanjay; Patil, Basanagoud; Chidurala, Naresh; Komanduri, Venukrishnan; Debnath, Samarpita; Belyakov, Sergei; Crespo, Alejandro; Struck, Alice; Kurtz, Marc; Wiltsie, Judyann; Shen, Xun; Sonatore, Lisa; Arocho, Marta; Lewis, Dale; Ogletree, Martin; Biftu, Tesfaye Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 4 p. 1111 - 1115
  • Route3

    References

    • Blizzard, Timothy A.; Singh, Sanjay; Patil, Basanagoud; Chidurala, Naresh; Komanduri, Venukrishnan; Debnath, Samarpita; Belyakov, Sergei; Crespo, Alejandro; Struck, Alice; Kurtz, Marc; Wiltsie, Judyann; Shen, Xun; Sonatore, Lisa; Arocho, Marta; Lewis, Dale; Ogletree, Martin; Biftu, Tesfaye Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 4 p. 1111 - 1115

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   85.38
  • LogP   2.4175
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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