ChemicalBook--->CAS DataBase List--->17422-74-1

17422-74-1

17422-74-1 Structure

17422-74-1 Structure
IdentificationMore
[Name]

CHROMONE-3-CARBOXALDEHYDE
[CAS]

17422-74-1
[Synonyms]

3-CHROMONECARBALDEHYDE
3-FORMYLCHROMONE
4-OXO-4H-1-BENZOPYRAN-3-CARBOXALDEHYDE
4-OXO-4H-CHROMENE-3-CARBALDEHYDE
AKOS B022468
AKOS BBS-00006952
AURORA KA-4820
BUTTPARK 29\06-40
CHROMONE-3-CARBOXALDEHYDE
4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-
3-Formyl-4H-1-benzopyran-4-one
4-Oxo-4H-1-benzopyran-3-carbaldehyde
KAN-104141
[EINECS(EC#)]

241-451-5
[Molecular Formula]

C10H6O3
[MDL Number]

MFCD00014667
[Molecular Weight]

174.15
[MOL File]

17422-74-1.mol
Chemical PropertiesBack Directory
[Appearance]

orange crystalline powder
[Melting point ]

151-153 °C (lit.)
[Boiling point ]

245.11°C (rough estimate)
[density ]

1.2135 (rough estimate)
[refractive index ]

1.4500 (estimate)
[storage temp. ]

Refrigerator (+4°C)
[form ]

Crystalline Powder
[color ]

Orange
[Sensitive ]

Air Sensitive
[BRN ]

472849
[InChI]

InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
[InChIKey]

FSMYWBQIMDSGQP-UHFFFAOYSA-N
[SMILES]

C1OC2=CC=CC=C2C(=O)C=1C=O
[CAS DataBase Reference]

17422-74-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29329900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Phosphorus oxitrichloride-->N,N-Dimethylacetamide-->2'-Hydroxyacetophenone
[Preparation Products]

2-Hydroxybenzophenone-->CHROMONE-->6-Hydroxy-6,9,10,11-tetrahydro-chromeno[4,3-b]quinolin-8-one-->Hydrazinecarbothioamide, 2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]--->4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-, 3-oxime-->Benzenesulfonic acid, 4-methyl-, 2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazide-->1,3-dimethyl-5-[(4-oxo-4H-chromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
Hazard InformationBack Directory
[Chemical Properties]

orange crystalline powder
[Uses]

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 Reference(s)]

Tetrahedron Letters, 14, p. 1995, 1973 DOI: 10.1016/S0040-4039(01)96102-7
[General 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.
Spectrum DetailBack Directory
[Spectrum Detail]

CHROMONE-3-CARBOXALDEHYDE(17422-74-1)MS
CHROMONE-3-CARBOXALDEHYDE(17422-74-1)1HNMR
CHROMONE-3-CARBOXALDEHYDE(17422-74-1)IR1
CHROMONE-3-CARBOXALDEHYDE(17422-74-1)IR2
CHROMONE-3-CARBOXALDEHYDE(17422-74-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Chromone-3-carboxaldehyde, 98%(17422-74-1)
[Alfa Aesar]

Chromone-3-carboxaldehyde, 98%(17422-74-1)
[Sigma Aldrich]

17422-74-1(sigmaaldrich)
[TCI AMERICA]

Chromone-3-carboxaldehyde,>98.0%(GC)(17422-74-1)
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