3',4'-DIMETHOXYPHENYL ACETYLENE

The Benzene,4-ethynyl-1,2-dimethoxy-, with the CAS registry number 4302-52-7, is also known as 1,2-Dimethoxy-4-ethynylbenzene. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.1852. Its systematic name is called 4-ethynyl-1,2-dimethoxybenzene.

Physical properties of Benzene,4-ethynyl-1,2-dimethoxy-: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 2.14; (4)ACD/BCF (pH 5.5): 24.78; (5)ACD/BCF (pH 7.4): 24.78; (6)ACD/KOC (pH 5.5): 346.39; (7)ACD/KOC (pH 7.4): 346.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.522; (11)Molar Refractivity: 46.54 cm³; (12)Molar Volume: 152.4 cm³; (13)Surface Tension: 38.7 dyne/cm; (14)Density: 1.06 g/cm³; (15)Flash Point: 88.1 °C; (16)Enthalpy of Vaporization: 45.25 kJ/mol; (17)Boiling Point: 234.9 °C at 760 mmHg; (18)Vapour Pressure: 0.079 mmHg at 25°C.

Preparation: this chemical can be prepared by beta-bromo-3,4-dimethoxy-styrene. This reaction will need reagent sodium ethylate, ethanol. The reaction temperature is 180 - 185 °C.

Uses of Benzene,4-ethynyl-1,2-dimethoxy-: it can be used to produce 4'-(3,4-dimethoxy-phenylethynyl)-biphenyl-4-carbonitrile by heating. This reaction will need solvent diethylamine with reaction time of 24 hours. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(C#C)cc1OC)C
(2)InChI: InChI=1/C10H10O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h1,5-7H,2-3H3
(3)InChIKey: UWSHHXXCHBLOFO-UHFFFAOYAX