The CAS register number of 2-Propenoic acid,2-cyano-3-(4-hydroxyphenyl)-, ethyl ester is 6935-44-0. It also can be called as 2-propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, ethyl ester, (2E)- and the systematic name about this chemical is ethyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate. The molecular formula about this chemical is C12H11NO3 and the molecular weight is 217.22.
Physical properties about 2-Propenoic acid,2-cyano-3-(4-hydroxyphenyl)-, ethyl ester are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.31; (5)ACD/BCF (pH 7.4): 14.05; (6)ACD/KOC (pH 5.5): 233.74; (7)ACD/KOC (pH 7.4): 229.56; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 59.32Å2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 59.45 cm3; (14)Molar Volume: 175 cm3; (15)Polarizability: 23.56x10-24cm3; (16)Surface Tension: 53.7 dyne/cm; (17)Enthalpy of Vaporization: 65.48 kJ/mol; (18)Boiling Point: 381.8 °C at 760 mmHg; (19)Vapour Pressure: 2.25E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-hydroxy-benzaldehyde and cyanoacetic acid ethyl ester at heating. This reaction will need reagent πperidine and solvent ethanol. The reaction time is 1 hour(s). The yield is about 70%.
Uses of 2-Propenoic acid,2-cyano-3-(4-hydroxyphenyl)-, ethyl ester: it can be used to produce 2-amino-4-(4-hydroxy-phenyl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylic acid ethyl ester with 4-hydroxy-1-methyl-1H-quinolin-2-one at heating. This reaction will need reagent πperidine and solvent ethanol with reaction time of 30 min. The yield is about 87%.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C(=C/c1ccc(O)cc1)C(=O)OCC
(2)InChI: InChI=1/C12H11NO3/c1-2-16-12(15)10(8-13)7-9-3-5-11(14)6-4-9/h3-7,14H,2H2,1H3/b10-7+
(3)InChIKey: HRBVVSOFSLPAOY-JXMROGBWBC
(4)Std. InChI: InChI=1S/C12H11NO3/c1-2-16-12(15)10(8-13)7-9-3-5-11(14)6-4-9/h3-7,14H,2H2,1H3/b10-7+
(5)Std. InChIKey: HRBVVSOFSLPAOY-JXMROGBWSA-N
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