| Identification | |
| Name: | 2-Naphthalenecarboxamide,3-hydroxy-N-(4-methylphenyl)- |
| Synonyms: | 2-Naphtho-p-toluidide,3-hydroxy- (7CI,8CI);3-Hydroxy-4'-methyl-2-naphthanilide;Acna Naphthol PT;Azotol PT;C.I. 37521;C.I. Azoic Coupling Component 31;Cibanaphthol RT;N-p-Tolyl-2-hydroxy-3-naphthamide;NSC 50691;Naphtazol T;Naphthol AS-RT;Naphtoelan RT; |
| CAS: | 3651-62-5 |
| EINECS: | 222-892-2 |
| Molecular Formula: | C18H15NO2 |
| Molecular Weight: | 277.32 |
| 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) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.277 g/cm3 |
| Refractive index: | 1.715 |
| Specification: |
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: |
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