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tert-Butyl N-hydroxycarbamate

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Name

tert-Butyl N-hydroxycarbamate

EINECS 252-836-2
CAS No. 36016-38-3 Density 1.101 g/cm3
PSA 58.56000 LogP 1.29120
Solubility Slightly soluble in water. Melting Point 53-55 °C(lit.)
Formula C5H11NO3 Boiling Point 250.4 °C at 760 mmHg
Molecular Weight 133.147 Flash Point 105.2 °C
Transport Information N/A Appearance White to light pink crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 36016-38-3 (tert-Butyl N-hydroxycarbamate) Hazard Symbols N/A
Synonyms

Carbamicacid, hydroxy-, 1,1-dimethylethyl ester (9CI);Carbamic acid, hydroxy-,tert-butyl ester (6CI);1,1-Dimethylethyl N-hydroxycarbamate;Hydroxycarbamicacid 1,1-dimethylethyl ester;N-(tert-Butoxycarbonyl)hydroxylamine;N-(tert-Butyloxycarbonyl)hydroxylamine;N-Hydroxycarbamic acid tert-butylester;N-Hydroxycarbamic acid tert-butyl ester;N-t-Butyloxycarbonylhydroxylamine;NSC 131086;NSC 144620;tert-Butoxycarbonylhydroxylamine;tert-Butyl N-hydroxycarbamate;tert-Butyl hydroxycarbamate;

Article Data 53

tert-Butyl N-hydroxycarbamate Specification

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: 38.77Å2; (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

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