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Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester

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Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester

EINECS 285-055-0
CAS No. 85006-25-3 Density 1.08 g/cm3
PSA 73.86000 LogP 2.76870
Solubility N/A Melting Point 67-70 ºC
Formula C10H19NO5 Boiling Point N/A
Molecular Weight 233.265 Flash Point N/A
Transport Information N/A Appearance White crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85006-25-3 (TERT-BUTYL N-(TERT-BUTOXYCARBONYLOXY)CARBAMATE) Hazard Symbols IrritantXi
Synonyms

Carbamicacid, (tert-butoxycarbonyloxy)-, tert-butyl ester (6CI);Carbamic acid, [[(1,1-dimethylethoxy)carbonyl]oxy]-,1,1-dimethylethyl ester (9CI);N,O-(tert-Butoxycarbonyl)hydroxylamine;N,O-Bis(tert-butoxycarbonyl)hydroxylamine;tert-Butyl(tert-butoxycarbonyloxy)carbamate;tert-ButylN-(tert-butoxycarbonyloxy)carbamate;

Article Data 12

Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester Specification

The Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester, with the CAS registry number 85006-25-3, is also known as tert-Butyl(tert-butoxycarbonyloxy)carbamate. Its EINECS number is 285-055-0. This chemical's molecular formula is C10H19NO5 and molecular weight is 233.26. What's more, its IUPAC name is tert-butyl [(2-methylpropan-2-yl)oxycarbonylamino] carbonate. It should be sealed and stored at the temperature of -20 °C.

Physical properties of Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.12; (6)ACD/BCF (pH 7.4): 66.12; (7)ACD/KOC (pH 5.5): 699.24; (8)ACD/KOC (pH 7.4): 699.24; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 57.19 cm3; (15)Molar Volume: 215.8 cm3; (16)Polarizability: 22.67×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.08 g/cm3.

Preparation of Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester: this chemical can be prepared by di(tert-butyl) carbonate at the temperature of 0 °C. This reaction will need reagents H2NOH·HCl, Et3N and solvents H2O, petroleum ether with the reaction time of 6 hours. The yield is about 85%.

 Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester can be prepared by di(tert-butyl) carbonate at the temperature of 0 °C

Uses of Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester: it can be used to produce N,O-Bis-tert-butoxycarbonyl-N-ethylhydroxylamine at the temperature of 30 °C. It will need reagent K2CO3 and solvent dimethylformamide with the reaction time of 2.5 hours. The yield is about 99%.

Carbonic acid,[[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester can be used to produce N,O-Bis-tert-butoxycarbonyl-N-ethylhydroxylamine at the temperature of 30 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12)
(3)InChIKey: AGOSGCWATIJZHQ-UHFFFAOYSA-N

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