ChemicalBook--->CAS DataBase List--->114741-22-9

114741-22-9

114741-22-9 Structure

114741-22-9 Structure
IdentificationBack Directory
[Name]

7-chloro-4-oxo-4H-chromene-2-carboxylic acid
[CAS]

114741-22-9
[Synonyms]

7-chloro-4-oxo-4H-chromene-2-carboxylic acid
4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-
[Molecular Formula]

C10H5ClO4
[MDL Number]

MFCD00847040
[MOL File]

114741-22-9.mol
[Molecular Weight]

224.6
Chemical PropertiesBack Directory
[Melting point ]

>244oC (dec.)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

PaleYellow to Pale Beige
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H302-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Synthesis]

ethyl 7-chloro-4-oxo-4H-chromene-2-carboxylate

113850-94-5

7-chloro-4-oxo-4H-chromene-2-carboxylic acid

114741-22-9

The general procedure for the synthesis of 7-chloro-4-oxo-4H-chromene-2-carboxylic acid from ethyl 7-chloro-4-oxo-4H-chromene-2-carboxylate was as follows: an aqueous 6M HCl solution (2 mL) was added to a solution of ethyl 7-chloro-4-oxo-4H-chromene-2-carboxylate in acetic acid (4 mL) and the mixture was heated to 80 °C and kept for 4.5 hours. After completion of the reaction, the mixture was cooled to room temperature, diluted with distilled water (6 mL), the resulting beige precipitate (204 mg, 89% yield) was collected by filtration and dried under reduced pressure at 50 °C. The product was characterized by 1H NMR (300 MHz, DMSO-d6): δ 6.92 (s, 1H), 7.58 (dd, J = 8.65,1.86 Hz, 1H), 7.95 (d, J = 1.70 Hz, 1H), 8.04 (d, J = 8.48 Hz, 1H); mass spectrum (APCI) m/z 225 [M + H]+, 224 [ M-H]+, 178.9 [M-CO2H]+.

[References]

[1] Patent: US2005/209274, 2005, A1. Location in patent: Page/Page column 22
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