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CS-W001157 4
Total: USD 88.00

1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

  • CAS No. 75837-81-9

  • Cat. No. CS-0357861
  • Purity95+%
  • MDL No.None

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

1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0357861

Structure of 75837-81-9

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General Information

  • CAS No. 75837-81-9
  • Cat. No. CS-0357861
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₃O₃
  • Molecular Weight 243.22
  • Synonym(s) 1-(4-Methoxyphenyl)-2,4-dixo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
  • SMILES COC1=CC=C(N2C=C(C(NC2=O)=O)C#N)C=C1

Synthesis

  • Route1
    • null|null
      75837-80-8
    • ~93%
    • 1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0357861
      75837-81-9

    References

    • Hirota; Sajiki; Kitade; Maki Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 8 p. 2008 - 2011
  • Route2
    • null|null
      104-94-9
    • ~%
    • 1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0357861
      75837-81-9

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 37, # 8 p. 2008 - 2011
  • Route3
    • Ethyl (2-cyano-3-ethoxyacryloyl)carbamate|CS-0456903
      1187-34-4
    • ~%
    • 1-(4-Methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0357861
      75837-81-9

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 37, # 8 p. 2008 - 2011

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

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Computational Chemistry Data

  • TPSA   87.88
  • LogP   0.40608
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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