1,2-DIPHENYLCYCLOPROPANE

The Benzene,1,1'-(1,2-cyclopropanediyl)bis-, with the CAS registry number 29881-14-9, is also known as 1,1'-Cyclopropane-1,2-diyldibenzene. Its EINECS number is 214-511-3. This chemical's molecular formula is C₁₅H₁₄ and molecular weight is 194.27. What's more, its IUPAC name is (2-phenylcyclopropyl)benzene. When you are using this chemical, please be cautious about it. You should avoid contact with skin and eyes.

Physical properties of Benzene,1,1'-(1,2-cyclopropanediyl)bis- are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1778.03; (6)ACD/BCF (pH 7.4): 1778.03; (7)ACD/KOC (pH 5.5): 7377.39; (8)ACD/KOC (pH 7.4): 7377.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 62.72 cm³; (15)Molar Volume: 181.6 cm³; (16)Polarizability: 24.86×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.069 g/cm³; (19)Flash Point: 130.8 °C; (20)Enthalpy of Vaporization: 50.87 kJ/mol; (21)Boiling Point: 290.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00357 mmHg at 25°C.

Preparation: this chemical can be prepared by iodobenzene and 2-phenylcyclopropylzinc chloride by heating. This reaction will need reagent Pd(PPh₃)₄ and solvent tetrahydrofuran with the reaction time of 24 hours. The yield is about 93%.

Uses of Benzene,1,1'-(1,2-cyclopropanediyl)bis-: it can be used to produce 1,3-diphenyl-propylamine by irradiation. It will need reagents NH₃, 1,2,4-triphenylbenzene, m-dicyanobenzene and solvents H₂O, acetonitrile with the reaction time of 20 hours. This reaction will also need catalyst Et₄NBF₄. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1C3CC3c2ccccc2
(2)Std. InChI: InChI=1S/C15H14/c1-3-7-12(8-4-1)14-11-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
(3)Std. InChIKey: ZSIYTDQNAOYUNE-UHFFFAOYSA-N