Carbamic acid,N-hydroxy-, phenylmethyl ester (3426-71-9)

The Benzyl N-hydroxycarbamate, with the CAS registry number 3426-71-9, has the systematic name and IUPAC name of benzyl N-hydroxycarbamate. It is a kind of white crystal solid,and belongs to the following categories: Anilines, Aromatic Amines and Nitro Compounds; Miscellaneous Reagents; Hydroxylamines; Hydroxylamines (N-Substituted). What's more, while dealing with the chemical, you should be cautious: Do not breathe dust. and avoid contact with skin and eyes. And the molecular formula of the chemical is C₈H₉NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.47; (6)ACD/BCF (pH 7.4): 6.37; (7)ACD/KOC (pH 5.5): 132.41; (8)ACD/KOC (pH 7.4): 130.36; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 42.7 cm³; (15)Molar Volume: 132 cm³; (16)Polarizability: 16.93×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 179.6 °C; (20)Enthalpy of Vaporization: 65.47 kJ/mol; (21)Boiling Point: 373.4 °C at 760 mmHg; (22)Vapour Pressure: 3.09E-06 mmHg at 25°C.

Preparation of Benzyl N-hydroxycarbamate: This chemical can be prepared by carbonochloridic acid benzyl ester. The reaction will need reagent NH₂OH^.HCl, K₂CO₃, and the menstruum diethyl ether and H₂O. And the yield is about 16%. 

Uses of Benzyl N-hydroxycarbamate: It can react with cyclohepta-1,3-diene to produce 6-oxa-7-aza-bicyclo[3.2.2]non-8-ene-7-carboxylic acid benzyl ester. This reaction will need reagent Me₄NIO₄, and the menstruum CH₂Cl₂. The reaction time is 1.5 hours with Ambient temperature, and the yield is about 90%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NO
(2)InChI: InChI=1/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
(3)InChIKey: PQBSPTAPCMSZAA-UHFFFAOYAF