Ethyl 4-methoxybenzoylformate supplier

Name
ETHYL 4-METHOXYBENZOYLFORMATE
EINECS
CAS No. 40140-16-7
Article Data62
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O₄
Boiling Point 317.566 °C at 760 mmHg
Molecular Weight 208.214
Flash Point 139.186 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA
LogP

Ethyl 4-methoxybenzoylformate Specification

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

Product Name

ETHYL 4-METHOXYBENZOYLFORMATE

Ethyl 4-methoxybenzoylformate Specification

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