CAS No.79722-21-7,TERT-BUTYL N-(BENZYLOXY)CARBAMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79722-21-7
Name:	TERT-BUTYL N-(BENZYLOXY)CARBAMATE
Article Data:	33

Formula:	C₁₂H₁₇NO₃
Molecular Weight:	223.272
Synonyms:	tert-Butyl benzyloxycarbamate;
EINECS:	628-800-0
Density:	1.078 g/cm³
Melting Point:	45-47 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	47.56000
LogP:	3.03380

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Specification

The Carbamic acid,N-(phenylmethoxy)-, 1,1-dimethylethyl ester, with the CAS registry number of 79722-21-7, is also known as tert-Butyl benzyloxycarbamate. It belongs to the product categories of Hydroxylamines; Hydroxylamines (N-Substituted); Hydroxylamines (O-Substituted); Nitrogen Compounds; Organic Building Blocks; Protected Amines. This chemical's molecular formula is C₁₂H₁₇NO₃and molecular weight is 223.27. What's more, its systematic name is called tert-Butyl (benzyloxy)carbamate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Carbamic acid,N-(phenylmethoxy)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.18; (2)ACD/LogD (pH 5.5): 3.18; (3)ACD/LogD (pH 7.4): 3.18; (4)ACD/BCF (pH 5.5): 153.38; (5)ACD/BCF (pH 7.4): 153.38; (6)ACD/KOC (pH 5.5): 1276.95; (7)ACD/KOC (pH 7.4): 1276.95; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å²; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 61.41 cm³; (14)Molar Volume: 206.9 cm³; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.078 g/cm³.

Preparation: this chemical is prepared by reaction of o-Benzyl-hydroxylamine with di-tert-Butyl dicarbonate. The reaction needs solvents Dioxane and H₂O. The reaction time is 30 min at ambient temperature. The yield is about 51 %.

Uses: it is used to produce other chemicals. For example, it is used to produce C₂₀H₃₃NO₃. This reaction needs reagent 1-Bromo-octane. Meanwhile, it needs solvent Dimethylformamide. The reaction time is 1 h with reaction temperature of 70 °C. The yield is about 99 %.

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

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(OC(C)(C)C)NOCc1ccccc1
(2) InChI:InChI=1/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
(3) InChIKey:MZNBNPWFHGWAGH-UHFFFAOYAZ