2-AMINO-N-TERT-BUTYLBENZAMIDE

The Benzamide, 2-amino-N-(1, 1-dimethylethyl)-, with the CAS registry number of 1203-89-0, is also known as 2-(tert-Butylcarbamyl)aniline. This chemical's molecular formula is C₁₁H₁₆N₂O and molecular weight is 192.26. What's more, its systematic name is called 2-Amino-N-tert-butylbenzamide. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzamide, 2-amino-N-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.9; (6)ACD/BCF (pH 7.4): 14.9; (7)ACD/KOC (pH 5.5): 240.6; (8)ACD/KOC (pH 7.4): 240.63; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 57.97 cm³; (15)Molar Volume: 181.6 cm³; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.058 g/cm³; (18)Flash Point: 171.3 °C; (19)Enthalpy of Vaporization: 60.52 kJ/mol; (20)Boiling Point: 359.6 °C at 760 mmHg; (21)Vapour Pressure: 2.36E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1H-Benzo[d][1, 3]oxazine-2, 4-dione with tert-Butylamine at ambient temperature. This reaction needs catalyst 4-Dimethylaminopyridine and solvent Dimethylformamide. The reaction time is 6 hours. The yield is about 73 %.

Uses of Benzamide, 2-amino-N-(1, 1-dimethylethyl)-: it is used to produce other chemicals. For example, it is used to produce [1-Benzyl-3-(2-tert-butylcarbamoyl-phenylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester. The reaction needs reagent i-PrOH. The reaction temperature is 70 °C. The yield is about 86 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1N)NC(C)(C)C
(2) InChI: InChI=1/C11H16N2O/c1-11(2,3)13-10(14)8-6-4-5-7-9(8)12/h4-7H,12H2,1-3H3,(H,13,14)
(3) InChIKey: YHBZJCBYHUVKCM-UHFFFAOYAK