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CS-W001157 4
Total: USD 88.00

4-(4-Oxoquinazolin-3(4H)-yl)benzoic acid

  • CAS No. 94242-54-3

  • Cat. No. CS-0070189
  • Purity≥97%
  • MDL No.None

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

4-(4-Oxoquinazolin-3(4H)-yl)benzoic acid|CS-0070189

Structure of 94242-54-3

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General Information

  • CAS No. 94242-54-3
  • Cat. No. CS-0070189
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₀N₂O₃
  • Molecular Weight 266.25
  • Synonym(s) 4-(4-oxo-3,4-dihydroquinazolin-3-yl)benzoic acid
  • SMILES O=C1N(C(C=C2)=CC=C2C(O)=O)C=NC3=C1C=CC=C3

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      134-20-3
    • null|null
      149-73-5
    • ~68%
    • 4-(4-Oxoquinazolin-3(4H)-yl)benzoic acid|CS-0070189
      94242-54-3

    References

    • Huang, Guoli; Liu, Bo; Teng, Mingyu; Chen, Yegao Synthetic Communications, 2014 , vol. 44, # 12 p. 1786 - 1794
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      118-92-3
    • null|null
      122-51-0
    • ~85%
    • 4-(4-Oxoquinazolin-3(4H)-yl)benzoic acid|CS-0070189
      94242-54-3

    References

    • Wang, Min; Song, Zhi-Guo; Zhang, Ting-Ting Organic Preparations and Procedures International, 2010 , vol. 42, # 2 p. 169 - 173
  • Route3
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      118-92-3
    • null|null
      149-73-5
    • ~88%
    • 4-(4-Oxoquinazolin-3(4H)-yl)benzoic acid|CS-0070189
      94242-54-3

    References

    • Wang, Min; Song, Zhi-Guo; Zhang, Ting-Ting Organic Preparations and Procedures International, 2010 , vol. 42, # 2 p. 169 - 173

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.19
  • LogP   2.0839
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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