CAS No.132465-11-3,Cinnamyl-3,4-dihydroxy-alpha-cyanocinnamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132465-11-3
Name:	Cinnamyl-3,4-dihydroxy-alpha-cyanocinnamate
Article Data:	1

Formula:	C₁₉H₁₅NO₄
Molecular Weight:	321.332
Synonyms:	132465-11-3;CINNAMYL-3,4-DIHYDROXY-ALPHA-CYANOCINNAMATE;CDC 5-LO inhibitor;CDC;CHEMBL37141;[(E)-3-phenylprop-2-enyl] (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate;2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester, (2E)-;D0QX4B;GTPL5162;SCHEMBL9215428;XGHYFEJMJXGPGN-UYHGDYIZSA-N;BDBM50011931;CCG-207922;Cinnamyl-3,4-dihydroxy-\|A-cyanocinnamate;MS-24747;HY-138688;CS-0166637;Cinnamyl 3,4-dihydroxy-.alpha.-cyanocinnamate;3,4-Dihydroxy-alpha-cyanocinnamic acid cinnamyl ester;Q27075808;(E)-cinnamyl 2-cyano-3-(3,4-dihydroxyphenyl)acrylate;3-phenylallyl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylate;Cinnamyl-3,4-dihydroxy-alpha-cyanocinnamate, >=98% (HPLC);2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-phenyl-allyl ester;(E)-2-Cyano-3-(3,4-dihydroxyphenyl)acrylic acid 3-phenyl-2-propenyl ester;(2E)-3-phenylprop-2-en-1-yl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate;2-Cyano-3-(3,4-dihydroxyphenyl)-3-phenyl-2-propenyl ester-2-propenoic acid
Density:	1.326 g/cm³
Boiling Point:	583.9 °C at 760 mmHg
Flash Point:	307 °C
Hazard Symbols:	Xi,N
Risk Codes:	43-50/53
Safety:	36/37-60-61
PSA:	90.55000
LogP:	3.26138

Synthetic route

: 132465-21-5
(E)-3-phenylallyl α-cyanoacetate

: 139-85-5
3,4-dihydroxybenzaldehyde

: 132465-11-3
cinnamyl 3,4-dihydroxyl-α-cyanocinnamate

Conditions

Conditions	Yield
With piperidine In N,N-dimethyl-formamide; benzene Heating;

Total:36 Page 1 of 1 1

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Specification

The Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate is an organic compound with the formula C₁₉H₁₅NO₄. The systematic name of this chemical is (2E)-3-phenylprop-2-en-1-yl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate. With the CAS registry number 132465-11-3, it is also named as (E,Z)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenyl-2-propenyl ester.

Physical properties about Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.05; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 122.42; (5)ACD/BCF (pH 7.4): 114.52; (6)ACD/KOC (pH 5.5): 1086.41; (7)ACD/KOC (pH 7.4): 1016.32; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 90.55 Å²; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 92.16 cm³; (14)Molar Volume: 242.3 cm³; (15)Polarizability: 36.53×10^-24cm³; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.326 g/cm³; (18)Flash Point: 307 °C; (19)Enthalpy of Vaporization: 90.5 kJ/mol; (20)Boiling Point: 583.9 °C at 760 mmHg; (21)Vapour Pressure: 3.1E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(\C=C(/C#N)C(=O)OC/C=C/c1ccccc1)cc2O
(2)InChI: InChI=1/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
(3)InChIKey: XGHYFEJMJXGPGN-UYHGDYIZBP
(4)Std. InChI: InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
(5)Std. InChIKey: XGHYFEJMJXGPGN-UYHGDYIZSA-N