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CAS No.: | 40140-16-7 |
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Name: | ETHYL 4-METHOXYBENZOYLFORMATE |
Article Data: | 62 |
Molecular Structure: | |
Formula: | C11H12O4 |
Molecular Weight: | 208.214 |
Synonyms: | Glyoxylicacid, (p-methoxyphenyl)-, ethyl ester (6CI,7CI);(p-Methoxyphenyl)glyoxylicacid ethyl ester;2-(4-Methoxyphenyl)-2-oxoacetic acid ethyl ester;4-Methoxy-a-oxobenzeneacetic acid ethylester;Ethyl (p-methoxyphenyl)glyoxalate;Ethyl 2-(4-methoxyphenyl)-2-oxoacetate;Ethyl 2-oxo-2-(4-methoxyphenyl)acetate;Ethyl anisylglyoxylate; |
Density: | 1.147 g/cm3 |
Boiling Point: | 317.566 °C at 760 mmHg |
Flash Point: | 139.186 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
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The CAS register number of Benzeneacetic acid,4-methoxy-a-oxo-, ethyl ester is 40140-16-7. It also can be called as 4-Methoxy-a-oxobenzeneacetic acid ethylester and the systematic name about this chemical is ethyl 2-(4-methoxyphenyl)-2-oxo-acetate. The molecular formula about this chemical is C11H12O4 and the molecular weight is 208.21. It belongs to the Aromatic Esters.
Physical properties about Benzeneacetic acid,4-methoxy-a-oxo-, ethyl ester are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.101; (3)ACD/LogD (pH 7.4): 2.101; (4)ACD/BCF (pH 5.5): 23.256; (5)ACD/BCF (pH 7.4): 23.256; (6)ACD/KOC (pH 5.5): 330.961; (7)ACD/KOC (pH 7.4): 330.961; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 52.6Å2; (11)Index of Refraction: 1.507; (12)Molar Refractivity: 54 cm3; (13)Molar Volume: 181.462 cm3; (14)Polarizability: 21.407x10-24cm3; (15)Surface Tension: 38.984 dyne/cm; (16)Flash Point: 139.186 °C; (17)Enthalpy of Vaporization: 55.899 kJ/mol; (18)Boiling Point: 317.566 °C at 760 mmHg.
Preparation: this chemical can be prepared by chloro-oxo-acetic acid ethyl ester and methoxybenzene. This reaction will need reagent AlCl3 and solvent nitrobenzene.
Uses of Benzeneacetic acid,4-methoxy-a-oxo-, ethyl ester: it can be used to produce 7-dimethylamino-3-(4-methoxy-phenyl)-benzo[1,4]oxazin-2-one with 2-Amino-5-dimethylamino-phenol at heating. This reaction will need solvent toluene with reaction time of 1 hours. The yield is about 40%.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(=O)c1ccc(cc1)OC
(2)InChI: InChI=1/C11H12O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3
(3)InChIKey: FSFFJEWAYWRLFT-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H12O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3
(5)Std. InChIKey: FSFFJEWAYWRLFT-UHFFFAOYSA-N