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CS-W001157 4
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2-Chloro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one

  • CAS No. 425634-97-5

  • Cat. No. CS-0452445
  • Purity≥98%
  • MDL No.None

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

2-Chloro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one|CS-0452445

Structure of 425634-97-5

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General Information

  • CAS No. 425634-97-5
  • Cat. No. CS-0452445
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃ClN₄O
  • Molecular Weight 240.69
  • Synonym(s) 2-[4-(Chloroacetyl)piperazin-1-yl]pyrimidine
  • SMILES C1=CN=C(N=C1)N2CCN(CC2)C(=O)CCl

Synthesis

  • Route1
    • 2-(1-Piperazinyl)pyrimidine Buspirone Impurity|CS-0229565
      20980-22-7
    • null|null
      79-04-9
    • ~87%
    • 2-Chloro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one|CS-0452445
      425634-97-5

    References

    • Sharma, Mani; Gupta, Monica; Singh, Divya; Kumar, Manoj; Kaur, Punit Chemical Biology and Drug Design, 2013 , vol. 82, # 2 p. 156 - 166
  • Route2
    • 2-(1-Piperazinyl)pyrimidine Buspirone Impurity|CS-0229565
      20980-22-7
    • null|null
      541-88-8
    • ~%
    • 2-Chloro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one|CS-0452445
      425634-97-5

    References

    • Gilead Sciences, Inc. Patent: US2012/289493 A1, 2012 ; Location in patent: Page/Page column 84 ; US 20120289493 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   0.364
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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