The Benzeneacetic acid, a-(acetylamino)-, with the CAS registry number 15962-46-6 and EINECS registry number 240-098-4, has the systematic name of (acetylamino)(phenyl)acetic acid. And the molecular formula of this chemical is C10H11NO3. In addition, it can be stored at room temperature.
The physical properties of Benzeneacetic acid, a-(acetylamino)- are as following: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 50.25 cm3; (15)Molar Volume: 156.5 cm3; (16)Polarizability: 19.92×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 219.4 °C; (20)Enthalpy of Vaporization: 73.37 kJ/mol; (21)Boiling Point: 439.2 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-08 mmHg at 25°C.
Preparation of Benzeneacetic acid, a-(acetylamino)-: This chemical can be prepared by acetic acid anhydride and amino-phenyl-acetic acid. The reaction will need reagent aq. NaOH, and the yield is about 92%.
Uses of Benzeneacetic acid, a-(acetylamino)-: It can react with phenylmagnesium bromide to produce N-(a'-oxo-bibenzyl-a-yl)-acetamide. This reaction will need reagent n-BuLi, and the solvents tetrahydrofuran, hexane and diethyl ether. And the yield is about 42%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C)c1ccccc1
(2)InChI: InChI=1/C10H11NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,11,12)(H,13,14)
(3)InChIKey: VKDFZMMOLPIWQQ-UHFFFAOYAD
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