Nsc50789

The 2,4-Pentadienoicacid, 5-phenyl-, (2E,4E)-, with the CAS registry number 28010-12-0, is also known as (E,E)-5-Phenyl-2,4-pentadienoic acid. This chemical's molecular formula is C₁₁H₁₀O₂ and molecular weight is 174.196. What's more, its IUPAC name is (2E,4E)-5-phenylpenta-2,4-dienoic acid.

Physical properties of 2,4-Pentadienoicacid, 5-phenyl-, (2E,4E)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 2.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 53.03 cm³; (15)Molar Volume: 151.6 cm³; (16)Polarizability: 21.02×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 257.6 °C; (20)Enthalpy of Vaporization: 63.45 kJ/mol; (21)Boiling Point: 356.1 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-05 mmHg at 25°C.

Preparation of 2,4-Pentadienoicacid, 5-phenyl-, (2E,4E)-: this chemical can be prepared by 3-phenyl-propenal and 1,1-Bis-trimethylsiloxy-2-trimethylsilyl-ethylen. This reaction will need reagents CsF and dimethylsulfoxide with the reaction time of 3 hours. The yield is about 90%.

Uses of 2,4-Pentadienoicacid, 5-phenyl-, (2E,4E)-: it can be used to produce 1-Bromo-4-phenylbuta-1(E/Z),3(E)-diene. It will need reagents N-bromosuccinimide, LiOAc and solvents acetonitrile, H₂O. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C=CC=CC(=O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)/C=C/C=C/C(=O)O
(3)InChI: InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)/b8-4+,9-5+
(4)InChIKey: FEIQOMCWGDNMHM-KBXRYBNXSA-N