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29113-33-5

29113-33-5 Structure

29113-33-5 Structure
IdentificationMore
[Name]

ETHYL 4-QUINAZOLONE-2-CARBOXYLATE
[CAS]

29113-33-5
[Synonyms]

ETHYL 3,4-DIHYDRO-4-OXOQUINAZOLINE-2-CARBOXYLATE
ETHYL 4-OXO-3,4-DIHYDRO-2-QUINAZOLINECARBOXYLATE
ETHYL 4-QUINAZOLONE-2-CARBOXYLATE
4-Quinazolone-2-carboxylic acid ethyl ester
3,4-Dihydro-4-oxoquinazoline-2-carboxylic acid ethyl ester
4-Oxo-3,4-dihydroquinazoline-2-carboxylic acid ethyl ester
[Molecular Formula]

C11H10N2O3
[MDL Number]

MFCD00051583
[Molecular Weight]

218.21
[MOL File]

29113-33-5.mol
Chemical PropertiesBack Directory
[Melting point ]

189-193 °C (lit.)
[Boiling point ]

363.7±25.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[form ]

powder to crystal
[pka]

-2.12±0.20(Predicted)
[color ]

White to Almost white
[λmax]

297nm(MeOH)(lit.)
[BRN ]

190186
[InChI]

InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
[InChIKey]

BMCAWNQKVVTNFP-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)C(=O)NC=1C(OCC)=O
[CAS DataBase Reference]

29113-33-5(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

Ethyl 4-quinazolone-2-carboxylate may be used to synthesize 4-quinazolone-2-carboxylic acid.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 27, p. 4672, 1962 DOI: 10.1021/jo01059a524
[General Description]

Ethyl 4-quinazolone-2-carboxylate is a quinazoline derivative. It can be synthesized from anthranilamide and ethyl oxalate.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 4-QUINAZOLONE-2-CARBOXYLATE(29113-33-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl 4-quinazolone-2-carboxylate, 98%(29113-33-5)
[Sigma Aldrich]

29113-33-5(sigmaaldrich)
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