4-METHOXYSTILBENE

The Benzene,1-methoxy-4-(2-phenylethenyl)- is an organic compound with the formula C₁₅H₁₄O. The IUPAC name of this chemical is 1-methoxy-4-[(E)-2-phenylethenyl]benzene. With the CAS registry number 1142-15-0, it is also named as 1-(p-Methoxyphenyl)-2-phenylethene. The product's category is Stilbenes (substituted). Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzene,1-methoxy-4-(2-phenylethenyl)- are: (1)ACD/LogP: 4.78; (2)ACD/LogD (pH 5.5): 4.78; (3)ACD/LogD (pH 7.4): 4.78; (4)ACD/BCF (pH 5.5): 2520.79; (5)ACD/BCF (pH 7.4): 2520.79; (6)ACD/KOC (pH 5.5): 9471.43; (7)ACD/KOC (pH 7.4): 9471.43; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23 Å²; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 70.32 cm³; (13)Molar Volume: 196.6 cm³; (14)Polarizability: 27.87×10^-24cm³; (15)Surface Tension: 41.3 dyne/cm; (16)Density: 1.069 g/cm³; (17)Flash Point: 135.4 °C; (18)Enthalpy of Vaporization: 56.2 kJ/mol; (19)Boiling Point: 341.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000159 mmHg at 25°C.

Preparation: this chemical can be prepared by vinylbenzene and 1-iodo-4-methoxy-benzene. This reaction is a kind of Heck reaction. This reaction will need reagent K₂CO₃, catalyst di-m-chlorobis(benzophenoneoxime-6-C,N)dipalladium(II) and solvent 1-methyl-pyrrolidin-2-one. The reaction time is 6 hours with reaction temperature of 150 °C. The yield is about 97%.

Uses of Benzene,1-methoxy-4-(2-phenylethenyl)-: it can be used to produce 2-(4-methoxy-phenyl)-3-phenyl-oxirane at ambient temperature. It will need reagent dimethyldioxirane and solvent acetone with reaction time of 40 min. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(\C=C\c1ccccc1)cc2)C
(2)InChI: InChI=1/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
(3)InChIKey: XWYXLYCDZKRCAD-BQYQJAHWBA
(4)Std. InChI: InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
(5)Std. InChIKey: XWYXLYCDZKRCAD-BQYQJAHWSA-N