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CS-W001157 4
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1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

  • CAS No. 36980-91-3

  • Cat. No. CS-0260664
  • Molecule weight165.15
  • Purity95+%
  • MDL No.None

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

1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0260664

Structure of 36980-91-3

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General Information

  • CAS No. 36980-91-3
  • Cat. No. CS-0260664
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃O₂
  • Molecular Weight 165.15
  • Synonym(s) 1,3-DIMETHYL-5-CYANOURACIL
  • SMILES N#CC1=CN(C)C(N(C)C1=O)=O

Synthesis

  • Route1
    • 1,3-Dimethyl-6-Cyanouracil|CS-0766843
      49846-86-8
    • null|null
      64-17-5
    • ~5%
    • 6-Ethoxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione|CS-0367435
      93787-99-6
    • null|null
      53293-16-6
    • 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0260664
      36980-91-3

    References

    • Wu, Yuen-Jen; Liao, Chen-Chieh; Jen, Cheng-Hung; Shih, Yu-Chiao; Chien, Tun-Cheng Chemical Communications, 2010 , vol. 46, # 26 p. 4821 - 4823
  • Route2

    References

    • Zamora, Felix; Zangrando, Ennio; Furlan, Michela; Randaccio, Lucio; Lippert, Bernhard Journal of Organometallic Chemistry, 1998 , vol. 552, # 1-2 p. 127 - 134
  • Route3
    • null|null
      52432-02-7
    • null|null
      74-89-5
    • ~%
    • 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0260664
      36980-91-3

    References

    • Atkinson et al. Journal of the Chemical Society, 1956 , p. 4118,4120

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.79
  • LogP   -1.04432
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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