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CS-W001157 4
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4-Chloro-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

  • CAS No. 51660-15-2

  • Cat. No. CS-0453188
  • Purity≥98%
  • MDL No.None

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

4-Chloro-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidine|CS-0453188

Structure of 51660-15-2

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General Information

  • CAS No. 51660-15-2
  • Cat. No. CS-0453188
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₂S
  • Molecular Weight 200.69
  • Synonym(s) 5-chloro-3-methylsulfanyl-2,4-diazabicyclo[4.3.0]nona-2,4,10-triene
  • SMILES CSC1=NC2=C(CCC2)C(=N1)Cl

Synthesis

  • Route1

    References

    • TETRA DISCOVERY PARTNERS, LLC.; GURNEY, Mark, E.; HAGEN, Timothy, J.; MO, Xuesheng; VELLEKOOP, A.; ROMERO, Donna, L.; CAMPBELL, Robert, F.; WALKER, Joel, R.; ZHU, Lei Patent: WO2014/66659 A1, 2014 ; Location in patent: Paragraph 0898 ;
  • Route2
    • 2-(Methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol|CS-0450823
      3087-14-7
    • ~%
    • 4-Chloro-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidine|CS-0453188
      51660-15-2

    References

    • Ross et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 3108,3111
  • Route3

    References

    • Ross et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 3108,3111

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.3406
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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