16979-20-7

The 4-Methyl-N-(4-methylbenzylidene)aniline, with the CAS registry number of 16979-20-7, is also known as 4-Methylbenzylidene-4-methylaniline. Its molecular formula is C₁₅H₁₅N and molecular weight is 209.2863. What's more, its systematic name is 4-Methyl-N-[(E)-(4-methylphenyl)methylidene]aniline.

Physical properties about the 4-Methyl-N-(4-methylbenzylidene)aniline are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 455.58; (6)ACD/BCF (pH 7.4): 469.93; (7)ACD/KOC (pH 5.5): 2758.84; (8)ACD/KOC (pH 7.4): 2845.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.36 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 69.25 cm³; (15)Molar Volume: 220 cm³; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 0.95 g/cm³; (18)Flash Point: 152.7 °C; (19)Enthalpy of Vaporization: 56.24 kJ/mol; (20)Boiling Point: 341.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000154 mmHg at 25 °C.

Preparation: this chemical can be obtained by N-(4-Methyl-benzyl)-p-toluidine. The reaction needs reagent O₂ and solvent Ethanol. The reaction time is24 h with reaction temperature of 60 °C. The yield is about 88 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 3-Phenyl-1,4-di-p-tolyl-azetidin-2-one. This reaction needs reagent Phosphoryl chloride. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 2 h. The yield is about 31 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N(=C/c1ccc(cc1)C)\c2ccc(cc2)C
(2) InChI: InChI=1/C15H15N/c1-12-3-7-14(8-4-12)11-16-15-9-5-13(2)6-10-15/h3-11H,1-2H3/b16-11+
(3) InChIKey: LKMIOABGTREIHR-LFIBNONCBH