BENZHYDRYL B-CHLOROETHYL ETHER

The Benzene,1,1'-[(2-chloroethoxy)methylene]bis- is an organic compound with the formula C₁₅H₁₅ClO. The IUPAC name of this chemical is [2-chloroethoxy(phenyl)methyl]benzene. With the CAS registry number 32669-06-0, it is also named as Benzhydryl 2-chloroethyl ether. The product's categories are Halides; Ring Systems.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2087.63; (6)ACD/BCF (pH 7.4): 2087.63; (7)ACD/KOC (pH 5.5): 8275.69; (8)ACD/KOC (pH 7.4): 8275.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 71.43 cm³; (14)Molar Volume: 220.3 cm³; (15)Polarizability: 28.31×10^-24 cm³; (16)Surface Tension: 40.1 dyne/cm; (17)Enthalpy of Vaporization: 55.76 kJ/mol; (18)Vapour Pressure: 0.000206 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 246.081143; (21)MonoIsotopic Mass: 246.081143; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 17; (24)Complexity: 177.

Preparation of Benzene,1,1'-[(2-chloroethoxy)methylene]bis-: First, we should get benzhydrol by reduction in zinc powder-sodium hydroxide solution of diphenyl ketone. Then, mixed with chlorethyl alcohol in the existence of sulfuric acid. After heating and etherification, we can get the product.

Uses OF Benzene,1,1'-[(2-chloroethoxy)methylene]bis-: It is used as intermediate of diphenhydramine hydrochloride salt. It also can react with benzhydryllithium to get benzhydryl 3,3-diphenylpropyl ether. This reaction needs solvent tetrahydrofuran at ambient temperature. The reaction time is 3 hours. The yield is 87%.

People can use the following data to convert to the molecule structure. 
1. SMILES:ClCCOC(c1ccccc1)c2ccccc2
2. InChI:InChI=1/C15H15ClO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
3. InChIKey:ZNVASENTCOLNJT-UHFFFAOYAM