ChemicalBook--->CAS DataBase List--->953039-79-7

953039-79-7

953039-79-7 Structure

953039-79-7 Structure
IdentificationBack Directory
[Name]

Methyl 2-chloroquinazolin...
[CAS]

953039-79-7
[Synonyms]

Methyl 2-chloroquinazoline-7-carboxylate
Methyl 2-chloro-quinazolin-7-carboxylate
2-Chloro-7-quinazolinecarboxylic acid methyl ester
7-Quinazolinecarboxylic acid, 2-chloro-, Methyl ester
[Molecular Formula]

C10H7ClN2O2
[MDL Number]

MFCD12031313
[MOL File]

953039-79-7.mol
[Molecular Weight]

222.63
Chemical PropertiesBack Directory
[Boiling point ]

328.6±24.0 °C(Predicted)
[density ]

1.392±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. -20°C
[pka]

-0.73±0.30(Predicted)
[Appearance]

Light yellow to light green Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-chloroquinazolin...(953039-79-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

7-Quinazolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester

953039-78-6

7-Quinazolinecarboxylic acid, 2-chloro-, methyl ester

953039-79-7

Step 3. Preparation of methyl 2-chloroquinazoline-7-carboxylate To methyl 2-oxo-1,2-dihydroquinazoline-7-carboxylate (1.0 eq.) was added phosphorous trichloride (POCl3, 3.0 eq.), the reaction mixture was heated to 100 °C and the reaction was stirred at this temperature for 20 minutes. Upon completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched by slowly pouring into ice water. The precipitated solid product was collected by filtration and washed with cold water. The resulting solid was dried overnight under high vacuum to afford methyl 2-chloroquinazoline-7-carboxylate in 60% yield. The product was confirmed by electrospray mass spectrometry (ES/MS), m/z 223 (MH+).

[References]

[1] Patent: WO2007/117607, 2007, A2. Location in patent: Page/Page column 341
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