Methyl2,4-dichloroquinazoline-7-carboxylate
- Product Name
- Methyl2,4-dichloroquinazoline-7-carboxylate
- CAS No.
- 174074-89-6
- Chemical Name
- Methyl2,4-dichloroquinazoline-7-carboxylate
- Synonyms
- Methyl2,4-dichloroquinazoline-7-carboxylate;Methyl2,4-dichloro-7-quinazolinecarboxylate;7-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester
- CBNumber
- CB12499548
- Molecular Formula
- C10H6Cl2N2O2
- Formula Weight
- 257.07
- MOL File
- 174074-89-6.mol
Methyl2,4-dichloroquinazoline-7-carboxylate Property
- Boiling point:
- 348.7±24.0 °C(Predicted)
- Density
- 1.496±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.38±0.30(Predicted)
- InChI
- InChI=1S/C10H6Cl2N2O2/c1-16-9(15)5-2-3-6-7(4-5)13-10(12)14-8(6)11/h2-4H,1H3
- InChIKey
- MDGPWZDKZBYRNL-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=CC(C(OC)=O)=C2)=C(Cl)N=C1Cl
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- HCH0044006
- Product name
- METHYL 2,4-DICHLOROQUINAZOLINE-7-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $889.35
- Updated
- 2021/12/16
- Product number
- HCH0044006
- Product name
- METHYL 2,4-DICHLOROQUINAZOLINE-7-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $2021.25
- Updated
- 2021/12/16
- Product number
- 174074896
- Product name
- Methyl2,4-dichloroquinazoline-7-carboxylate
- Packaging
- 10g
- Price
- $2090
- Updated
- 2021/12/16
- Product number
- 174074896
- Product name
- Methyl2,4-dichloroquinazoline-7-carboxylate
- Packaging
- 25g
- Price
- $2766.4
- Updated
- 2021/12/16
- Product number
- 174074896
- Product name
- Methyl2,4-dichloroquinazoline-7-carboxylate
- Packaging
- 5g
- Price
- $1450.08
- Updated
- 2021/12/16
Methyl2,4-dichloroquinazoline-7-carboxylate Chemical Properties,Usage,Production
Synthesis
174074-88-5
174074-89-6
General procedure for the synthesis of methyl 2,4-dichloroquinazoline-7-carboxylate from methyl 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate: 2,4-dihydroxyquinazoline-7-carboxylic acid methyl 2,4-dihydroxyquinazoline-7-carboxylate was added (raw material) to a 250 mL flask, followed by phosphorus trichloride (POCl3, 76 mL) and phosphorus pentachloride (PCl5, 12.1 g, 58.1 mmol). The suspension was heated to reflux overnight under nitrogen protection. Upon completion of the reaction, formation of a dark orange solution was observed. Excess POCl3 was removed by distillation under reduced pressure and the residue was azeotroped with toluene to further remove residual POCl3 to give an orange solid. The solid was dissolved in dichloromethane (DCM, 50 mL) and slowly added to a stirred solution of saturated sodium bicarbonate (NaHCO3, 300 mL). The resulting biphasic solution was diluted with DCM (100 mL) and water (30 mL) and stirred for 1 hour at room temperature. Subsequently, DCM (500 mL) was added and the mixture was transferred to a partition funnel. The DCM layer was separated and the aqueous layer was extracted with DCM (3 x 100 mL). The organic phases were combined, dried with anhydrous magnesium sulfate (MgSO4), filtered and concentrated to give an orange solid. Purification by Biotage 65 fast chromatography using DCM-3% methanol/DCM as eluent in an elution volume of 3.5 L resulted in methyl 2,4-dichloroquinazoline-7-carboxylate as a white solid with a yield of 4.4 g in 59% yield. The product was confirmed by 1H NMR (400 MHz, DMSO-d6) and mass spectrometry (API+): 1H NMR δ 8.47 (1H, d, J = 1.01 Hz), 8.43 (1H, d, J = 8.84 Hz), 8.29 (1H, dd, J = 8.72, 1.64 Hz), 3.96 (3H, s); MS (API+) m/z 257.0 (M + H)+.
References
[1] Patent: WO2007/125405, 2007, A2. Location in patent: Page/Page column 20; 48-49; 54
Methyl2,4-dichloroquinazoline-7-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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