Pyridine, 4-(2-phenylethyl)- supplier

Name
4-phenethylpyridine
EINECS
CAS No. 2116-64-5
Article Data37
CAS DataBase
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃N
Boiling Point 283.2 °C at 760 mmHg
Molecular Weight 183.253
Flash Point 116.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Phenylethyl)pyridine;4-Phenethylpyridine;4-Phenethyl-pyridine;
PSA 12.89000
LogP 2.86680

Pyridine, 4-(2-phenylethyl)- Specification

The Pyridine, 4-(2-phenylethyl)-, with the CAS registry number 2116-64-5, is also known as 4-Phenethylpyridine. This chemical's molecular formula is C₁₃H₁₃N and molecular weight is 183.25. What's more, its systematic name is 4-(2-phenylethyl)pyridine.

Physical properties of Pyridine, 4-(2-phenylethyl)- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.89 Å²; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 58.38 cm³; (9)Molar Volume: 176.1 cm³; (10)Polarizability: 23.14×10^-24cm³; (11)Surface Tension: 42.6 dyne/cm; (12)Density: 1.04 g/cm³; (13)Flash Point: 116.2 °C; (14)Enthalpy of Vaporization: 50.12 kJ/mol; (15)Boiling Point: 283.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00547 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-vinyl-pyridine, phenylboronic acid at the temperature of 80 °C. This reaction will need reagents [Rh(COD)Cl]₂, TPPDS, aq. Na₂CO₃ with the reaction time of 15 hours. This reaction will also need catalyst SDS. The yield is about 80%.

Uses of Pyridine, 4-(2-phenylethyl)-: it can be used to produce 1-benzyl-4-(2-phenylethyl)pyridinium chloride by heating. It will need solvent acetone with the reaction time of 48 hours. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=NC=C2
(2)InChI: InChI=1S/C13H13N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,8-11H,6-7H2
(3)InChIKey: UWLBLNRDXXHYGS-UHFFFAOYSA-N

Product Name

4-phenethylpyridine

Pyridine, 4-(2-phenylethyl)- Specification

Related Products

Hot Products