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CS-W001157 4
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Tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate

  • CAS No. 245450-04-8

  • Cat. No. CS-0582348
  • Molecule weight324.34
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate|CS-0582348

Structure of 245450-04-8

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General Information

  • CAS No. 245450-04-8
  • Cat. No. CS-0582348
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀N₆O₄
  • Molecular Weight 324.34
  • Synonym(s) 4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
  • SMILES CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N

Synthesis

  • Route1

    References

    • Kyowa Hakko Kogyo Co., Ltd. Patent: US6423716 B1, 2002 ;
  • Route2

    References

    • Matsuno, Kenji; Ushiki, Junko; Seishi, Takashi; Ichimura, Michio; Giese, Neill A.; Yu, Jin-Chen; Takahashi, Shusuke; Oda, Shoji; Nomoto, Yuji Journal of Medicinal Chemistry, 2003 , vol. 46, # 23 p. 4910 - 4925

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   127.72
  • LogP   1.0241
  • H_Acceptors   8
  • H_Donors   1
  • Rotatable_Bonds   2

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