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Methyl 4-oxo-3,4-dihydroquinazoline-8-carboxylate

  • CAS No. 1000578-10-8

  • Cat. No. CS-0130124
  • Molecule weight204.18
  • Purity≥98%
  • MDL No.MFCD16036906

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

Methyl 4-oxo-3,4-dihydroquinazoline-8-carboxylate|CS-0130124

Structure of 1000578-10-8

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General Information

  • CAS No. 1000578-10-8
  • Cat. No. CS-0130124
  • Purity ≥98%
  • MDL No. MFCD16036906
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) METHYL 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXYLATE(WXG01643)
  • SMILES O=C(C1=CC=CC2=C1N=CNC2=O)OC

Synthesis

  • Route1

    References

    • MERCK PATENT GMBH; SUTTON, Amanda E.; RICHARDSON, Thomas E.; HUCK, Bayard R.; KARRA, Srinivasa R.; CHEN, Xiaoling; XIAO, Yufang; GOUTOPOULOS, Andreas; LAN, Ruoxi; PERREY, David; VANDEVEER, Harold, George; LIU-BUJALSKI, Lesley; STIEBER, Frank; HODOUS, Brian L.; QIU, Hui; JONES, Reinaldo C.; HEASLEY, Brian Patent: WO2010/93419 A1, 2010 ; Location in patent: Page/Page column 173; 194 ; WO 2010/093419 A1
  • Route2

    References

    • WO2012/69146 A1, ;
  • Route3
    • null|null
      1379546-43-6
    • ~%
    • Methyl 4-oxo-3,4-dihydroquinazoline-8-carboxylate|CS-0130124
      1000578-10-8

    References

    • WO2012/69146 A1, ;

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   72.05
  • LogP   0.7097
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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