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| CAS No.: | 74309-54-9 |
|---|---|
| Name: | 2-[1-(2-methylphenyl)]ethenylpyridine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C14H13N |
| Molecular Weight: | 195.264 |
| Synonyms: | 2-(1-o-Tolyl-vinyl)-pyridine; |
| Density: | 1.02 g/cm3 |
| Boiling Point: | 302.9 °C at 760 mmHg |
| Flash Point: | 126.3 °C |
| PSA: | 12.89000 |
| LogP: | 3.45150 |
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Specification
The Pyridine, 2-[1-(2-methylphenyl)ethenyl]-, with the CAS registry number 74309-54-9, is also known as 2-(1-o-Tolyl-vinyl)-pyridine. This chemical's molecular formula is C14H13N and molecular weight is 195.26. What's more, its IUPAC name is 2-[1-(2-Methylphenyl)ethenyl]pyridine.
Physical properties about Pyridine, 2-[1-(2-methylphenyl)ethenyl]- are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 470.64; (6)ACD/BCF (pH 7.4): 600.63; (7)ACD/KOC (pH 5.5): 2655.69; (8)ACD/KOC (pH 7.4): 3389.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 63.13 cm3; (15)Molar Volume: 191.3 cm3; (16)Polarizability: 25.02×10-24 cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 126.3 °C; (20)Enthalpy of Vaporization: 52.14 kJ/mol; (21)Boiling Point: 302.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00173 mmHg at 25 °C.
Uses of Pyridine, 2-[1-(2-methylphenyl)ethenyl]-: it is used to produce other chemicals. For example, it is used to produce 2-(2-Phenyl-1-o-tolyl-vinyl)-pyridine. This reaction needs reagents K2CO3 and Triphenylphosphine. Meanwhile, it needs catalyst [RuCl2(η6-C6H6)]2 and solvent 1-Methyl-pyrrolidin-2-one. The reaction time is 20 hours with reaction temperature of 120 °C. The yield is about 59 %.
![Pyridine, 2-[1-(2-methylphenyl)ethenyl]- can react with Bromobenzene to get 2-(2-Phenyl-1-o-tolyl-vinyl)-pyridine.](/UserFilesUpload/Uses of Pyridine, 2-[1-(2-methylphenyl)ethenyl]-.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccccc1C(/c2ccccc2C)=C
(2) InChI: InChI=1/C14H13N/c1-11-7-3-4-8-13(11)12(2)14-9-5-6-10-15-14/h3-10H,2H2,1H3
(3) InChIKey: JSGGRCSASAHNOM-UHFFFAOYAR