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CS-W001157 4
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4-Oxo-4H-chromene-3-carbaldehyde

  • CAS No. 17422-74-1

  • Cat. No. CS-W017515
  • Molecule weight174.15
  • Purity≥98%
  • MDL No.MFCD00014667

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

4-Oxo-4H-chromene-3-carbaldehyde|CS-W017515

Structure of 17422-74-1

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General Information

  • CAS No. 17422-74-1
  • Cat. No. CS-W017515
  • Purity ≥98%
  • MDL No. MFCD00014667
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆O₃
  • Molecular Weight 174.15
  • Synonym(s) Chromone-3-carboxaldehyde
  • SMILES O=CC1=COC2=CC=CC=C2C1=O

Description

Electrospray ionization mass spectrometry (ESI-MS) of protonated 3-formylchromone (3-FC) shows loss of H2 as a major fragmentation route to yield a ketene cation, which on reaction with water forms a protonated carboxylic acid. The invivo salubrious effects of 3-FC against nitrosodiethylamine (NDEA) mediated early hepatocellular carcinogenesis has been investigated. Synthesis and characterization of 3-FC and its derivatives has been reported.3-Formylchromone may be used in the following studies:Preparation of library of novel (E)-3-(2-arylcarbonyl-3-(arylamino)allyl)-4H-chromen-4-ones, by three-component domino reactions with (E)-3-(dimethylamino)-1-arylprop-2-en-1-ones and anilines under catalyst-free conditions.Facile and ecofriendly synthesis of new chromonyl chalcones.Synthesis of 3-(2-hydroxybenzoyl)quinolines and 7H-chromeno[3,2-c]quinolin-7-ones.

Synthesis

  • Route1
    • null|null
      74990-95-7
    • ~89%
    • In-stock
      4-Oxo-4H-chromene-3-carbaldehyde|CS-W017515
      17422-74-1

    References

    • Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 44, # 11 p. 2409 - 2411
  • Route2
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • null|null
      68-12-2
    • ~98%
    • In-stock
      4-Oxo-4H-chromene-3-carbaldehyde|CS-W017515
      17422-74-1

    References

    • Organic Process Research and Development, , vol. 16, # 8 p. 1442 - 1448
  • Route3
    • null|null
      108-95-2
    • ~%
    • In-stock
      4-Oxo-4H-chromene-3-carbaldehyde|CS-W017515
      17422-74-1

    References

    • Inorganic Chemistry Communications, , vol. 13, # 10 p. 1213 - 1216

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   47.28
  • LogP   1.6055
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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