CAS No.85006-25-3,TERT-BUTYL N-(TERT-BUTOXYCARBONYLOXY)CARBAMATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	85006-25-3
Name:	TERT-BUTYL N-(TERT-BUTOXYCARBONYLOXY)CARBAMATE
Article Data:	12

Formula:	C₁₀H₁₉NO₅
Molecular Weight:	233.265
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;
EINECS:	285-055-0
Density:	1.08 g/cm³
Melting Point:	67-70 ºC
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	73.86000
LogP:	2.76870

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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