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Basic Information
CAS No.: 14794-06-0
Name: ETHYL 4-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)BENZOATE
Molecular Structure:
Molecular Structure of 14794-06-0 (ETHYL 4-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)BENZOATE)
Formula: C13H11NO4
Molecular Weight: 245.235
Synonyms: Benzoicacid, p-maleimido-, ethyl ester (8CI);N-(4-Ethoxycarbonylphenyl)maleimide;N-(p-Ethoxycarbonylphenyl)maleimide;NSC 144973;p-Maleimidobenzoic acid ethylester;Ethyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate;
Density: 1.328 g/cm3
Melting Point: 114.5-115.5 °C
Boiling Point: 406.1 °C at 760 mmHg
Flash Point: 199.4 °C
Hazard Symbols: IrritantXi
PSA: 63.68000
LogP: 1.35770
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Specification

The Benzoicacid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester, with the CAS registry number 14794-06-0, is also known as N-(4-Ethoxycarbonylphenyl)maleimide. This chemical's molecular formula is C13H11NO4 and molecular weight is 245.23. What's more, its systematic name is ethyl 4-(2,5-dioxopyrrol-1-yl)benzoate.

Physical properties of Benzoicacid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 63.68 Å2; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 62.72 cm3; (9)Molar Volume: 184.6 cm3; (10)Polarizability: 24.86×10-24cm3; (11)Surface Tension: 54.8 dyne/cm; (12)Density: 1.328 g/cm3; (13)Flash Point: 199.4 °C; (14)Enthalpy of Vaporization: 65.78 kJ/mol; (15)Boiling Point: 406.1 °C at 760 mmHg; (16)Vapour Pressure: 8.32E-07 mmHg at 25°C.

Uses of Benzoicacid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester: it can be used to produce 4-(3-furan-2-yl-4,6-dioxo-1-phenyl-hexahydro-pyrrolo[3,4-c]pyrazol-5-yl)-benzoic acid ethyl ester by heating. It will need solvent toluene with the reaction time of 4 hours. The yield is about 74%.

Benzoicacid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, ethyl ester can be used to produce 4-(3-furan-2-yl-4,6-dioxo-1-phenyl-hexahydro-pyrrolo[3,4-c]pyrazol-5-yl)-benzoic acid ethyl ester by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O
(2)InChI: InChI=1S/C13H11NO4/c1-2-18-13(17)9-3-5-10(6-4-9)14-11(15)7-8-12(14)16/h3-8H,2H2,1H3
(3)InChIKey: DISBFDYIBYWYJZ-UHFFFAOYSA-N