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CS-W001157 4
Total: USD 88.00

6-Chloropyrido[3,4-d]pyrimidin-4(1H)-one

  • CAS No. 171178-47-5

  • Cat. No. CS-0069119
  • Purity≥98%
  • MDL No.MFCD11044635

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

6-Chloropyrido[3,4-d]pyrimidin-4(1H)-one|CS-0069119

Structure of 171178-47-5

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General Information

  • CAS No. 171178-47-5
  • Cat. No. CS-0069119
  • Purity ≥98%
  • MDL No. MFCD11044635
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClN₃O
  • Molecular Weight 181.58
  • Synonym(s) 6-Chloropyrido[3,4-d]pyrimidin-4(3H)-one
  • SMILES O=C1C2=C(C=NC(Cl)=C2)NC=N1

Synthesis

  • Route1

    References

    • Warner-Lambert Company Patent: US5654307 A1, 1997 ; US 5654307 A
  • Route2
    • null|null
      77287-34-4
    • In-stock
      3-Amino-6-chloroisonicotinic acid|CS-W009220
      58483-95-7
    • ~84%
    • In-stock
      6-Chloropyrido[3,4-d]pyrimidin-4(1H)-one|CS-0069119
      171178-47-5

    References

    • Rewcastle, Gordon W.; Denny, William A.; Winters, R. Thomas; Colbry, Norman L.; Showalter, H. D. Hollis Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 18 p. 2221 - 2226
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1401 - 1405

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   58.64
  • LogP   0.9715
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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