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| CAS No.: | 5938-16-9 |
|---|---|
| Name: | 4-(4-Methoxyphenyl)pyridine |
| Article Data: | 65 |
| Molecular Structure: | |
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| Formula: | C12H11NO |
| Molecular Weight: | 185.225 |
| Synonyms: | Pyridine,4-(p-methoxyphenyl)- (7CI,8CI);4-(4-Methoxyphenyl)pyridine;4-(p-Methoxyphenyl)pyridine; |
| Density: | 1.077 g/cm3 |
| Melting Point: | 38-63 °C |
| Boiling Point: | 308.1 °C at 760 mmHg |
| Flash Point: | 113 °C |
| PSA: | 22.12000 |
| LogP: | 2.75720 |
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Specification
The 4-(4-Methoxyphenyl)pyridine with cas registry number of 5938-16-9, has the systematic name of 4-(4-methoxyphenyl)pyridine. And it is also named pyridine, 4-(4-methoxyphenyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 11.34; (6)ACD/BCF (pH 7.4): 38.42; (7)ACD/KOC (pH 5.5): 138.74; (8)ACD/KOC (pH 7.4): 469.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 55.61 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 22.04×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Enthalpy of Vaporization: 52.69 kJ/mol; (19)Vapour Pressure: 0.00126 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-bromo-4-methoxy-benzene and diethyl(4-pyridyl)borane. This reaction will need reagent potassium hydroxide, tetrabutylammonium bromide and solvent tetrakis(triphenylphosphine)palladium. This reaction time is 3 hour(s). The yield is about 75%.
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Uses of 4-(4-Methoxyphenyl)pyridine: it can be used to produce 4-(4-Pyridinyl)phenol. This reaction will need reagent NaSMe and solvent dimethylformamide. The reaction time is 5 hour(s) with reaction temperature of 130 ℃. The yield is about 44%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(c1ccncc1)cc2)C;
(2)InChI: InChI=1/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3;
(3)InChIKey: BDXPUDLCSHDVGK-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C12H11NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-9H,1H3;
(5)Std. InChIKey: BDXPUDLCSHDVGK-UHFFFAOYSA-N