3-Hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide

The 3-Hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide, with the CAS registry number 3651-62-5 and EINECS registry number 222-892-2, is also called 12-naphthalenecarboxamide, 3-hydroxy-N-(4-methylphenyl)-. And the molecular formula of the chemical is C₁₈H₁₅NO₂.

The characteristics of 3-Hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide are as followings: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3465.1; (6)ACD/BCF (pH 7.4): 3203.9; (7)ACD/KOC (pH 5.5): 11890.17; (8)ACD/KOC (pH 7.4): 10993.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 85.37 cm³; (15)Molar Volume: 217.1 cm³; (16)Polarizability: 33.84×10^-24cm³; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.277 g/cm³; (19)Flash Point: 198.7 °C; (20)Enthalpy of Vaporization: 68.19 kJ/mol; (21)Boiling Point: 404.9 °C at 760 mmHg; (22)Vapour Pressure: 3.91E-07 mmHg at 25°C.   

Preparation of 3-Hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide: This chemical can be prepared by 3-hydroxy-[2]naphthoic acid p-toluidide. The reaction will need reagent tosyl azide and triethylamine, and the menstruum acetonitrile. The reaction time is 2 hours with temperature of 25°C, and the yield is about 80%. 

Uses of 3-Hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide: It can react with ethanol to produce 3-hydroxy-[2]naphthoic acid p-toluidide and 2-p-tolylcarbamoyl-3H-indene-1-carboxylic acid ethyl ester. This reaction will need reagent glacial acetic acid, and the menstruum dioxane. It also need irradiation, and the yield is about 75%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c2cc1c(cccc1)cc2O)Nc3ccc(cc3)C
(2)InChI: InChI=1/C18H15NO2/c1-12-6-8-15(9-7-12)19-18(21)16-10-13-4-2-3-5-14(13)11-17(16)20/h2-11,20H,1H3,(H,19,21)
(3)InChIKey: NBBZFRCZVJXXHT-UHFFFAOYAC