Carbamic acid,N-hydroxy-, 1,1-dimethylethyl ester (36016-38-3)

The CAS register number of Carbamic acid,N-hydroxy-, 1,1-dimethylethyl ester is 36016-38-3. It also can be called as N-Boc-hydroxylamine and the IUPAC name about this chemical is tert-butyl N-hydroxycarbamate. The molecular formula about this chemical is C₅H₁₁NO₃ and the molecular weight is 133.15. It belongs to the following product categories, such as Intermediatesofmeropenam; API intermediates; Hydroxylamines; Hydroxylamines (N-Substituted); Naphthyridine,Quinoline and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about Carbamic acid,N-hydroxy-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 0.82; (4)ACD/BCF (pH 5.5): 2.48; (5)ACD/BCF (pH 7.4): 2.45; (6)ACD/KOC (pH 5.5): 66.63; (7)ACD/KOC (pH 7.4): 65.83; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.77Ų; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 32.08 cm³; (14)Molar Volume: 120.9 cm³; (15)Polarizability: 12.71x10^-24cm³; (16)Surface Tension: 35.7 dyne/cm; (17)Enthalpy of Vaporization: 56.66 kJ/mol; (18)Boiling Point: 250.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00344 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonazidic acid tert-butyl ester. This reaction will need reagent NH₂OH.

Uses of Carbamic acid,N-hydroxy-, 1,1-dimethylethyl ester: it can be used to produce N-BOC-O-THP hydroxylamine with 3,4-dihydro-2H-pyran at ambient temperature. This reaction will need reagent pTsOH and solvent CH₂Cl₂ with reaction time of 18 hours. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NO
(2)InChI: InChI=1/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)
(3)InChIKey: DRDVJQOGFWAVLH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)
(5)Std. InChIKey: DRDVJQOGFWAVLH-UHFFFAOYSA-N