1,7-DIMETHOXYNAPHTHALENE

The Naphthalene,1,7-dimethoxy-, with CAS registry number 5309-18-2, belongs to the following product categories: (1)Ethers; (2)Organic Building Blocks; (3)Oxygen Compounds. It has the systematic name of 1,7-dimethoxynaphthalene. And the chemical formula of this chemical is C₁₂H₁₂O₂.

Physical properties of Naphthalene,1,7-dimethoxy-: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.06; (6)ACD/BCF (pH 7.4): 183.06; (7)ACD/KOC (pH 5.5): 1449.33; (8)ACD/KOC (pH 7.4): 1449.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.45 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 22.77×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 130.3 °C; (20)Enthalpy of Vaporization: 53.01 kJ/mol; (21)Boiling Point: 311.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00105 mmHg at 25°C.

Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and naphthalene-1,7-diol. This reaction will need reagent aqueous KOH.

Uses of Naphthalene,1,7-dimethoxy-: it can be used to produce 3,5-dimethoxy-2-iodonaphthalene. This reaction will need reagents butyllithium, I₂ and solvents hexane, tetrahydrofuran. The reaction temperature is -78 ℃. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c2c(ccc1)ccc(OC)c2)C
(2)InChI: InChI=1/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2H3
(3)InChIKey: SNJIXGITYNNHDO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2H3
(5)Std. InChIKey: SNJIXGITYNNHDO-UHFFFAOYSA-N