5-NORBORNENE-2-PHENYL

The Bicyclo[2. 2. 1]hept-2-ene, 5-phenyl-, with the CAS registry number of 6143-30-2, is also known as 5-Norbornene-2-phenyl and 5-Phenylbicyclo[2. 2. 1]-2-heptene. It belongs to the product category of Norbornene Derivatives. This chemical's molecular formula is C₁₃H₁₄ and molecular weight is 170.25. What's more, its IUPAC name is 5-Phenylbicyclo[2. 2. 1]hept-2-ene.

Physical properties about Bicyclo[2. 2. 1]hept-2-ene, 5-phenyl- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 670.84; (6)ACD/BCF (pH 7.4): 670.84; (7)ACD/KOC (pH 5.5): 3671.93; (8)ACD/KOC (pH 7.4): 3671.93; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 54.38 cm³; (15)Molar Volume: 162.6 cm³; (16)Polarizability: 21.55×10^-24 cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.046 g/cm³; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 46.61 kJ/mol; (21)Boiling Point: 248.5 °C at 760 mmHg; (22)Vapour Pressure: 0.038 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Norborna-2, 5-diene with Norborn-2-ene. The reaction needs reagents NEt₃ and HCOOH. Meanwhile, it needs solvent Dimethylsulfoxide and catalyst [o-C₆H₄(P(NMe₂)₂)CH₂PdOAc]₂. The reaction time is 16 hours with reaction temperature of 120 °C. The yield is about 98 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Formic acid 5-phenyl-bicyclo[2. 2. 1]hept-2-yl ester. The reaction time is 3 hours with reaction temperature of 120 °C. The yield is about 78.5 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cccc1)C3C2\C=C/C(C2)C3
(2) InChI: InChI=1/C13H14/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2
(3) InChIKey: PGNNHYNYFLXKDZ-UHFFFAOYAD