Benzyl carbamate

The Benzyl carbamate, with the CAS registry number 621-84-1, is also known as Carbamyl benzyl ester. It belongs to the product categories of Heterocycles; Nitrogen Compounds; Organic Building Blocks; Protected Amines; Building Blocks; Chemical Synthesis; Nitrogen Compounds. Its EINECS number is 210-710-4. This chemical's molecular formula is C₈H₉NO₂ and molecular weight is 151.16. What's more, its systematic name is Benzyl carbamate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as organic synthesis intermediates. This chemical is a carbamate which is often used an amine protecting group in organic synthesis. It is commonly used in peptide synthesis. It is used to protect amines from electrophiles.

Physical properties of Benzyl carbamate are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.83; (6)ACD/BCF (pH 7.4): 5.83; (7)ACD/KOC (pH 5.5): 122.91; (8)ACD/KOC (pH 7.4): 122.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 41.112 cm³; (15)Molar Volume: 129.41 cm³; (16)Polarizability: 16.298×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.168 g/cm³; (19)Flash Point: 182.584 °C; (20)Enthalpy of Vaporization: 56.025 kJ/mol; (21)Boiling Point: 318.723 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonochloridic acid benzyl ester at the temperature of 0 °C. This reaction will need reagent conc. ammonium hydroxide. The yield is about 92%.

Uses of Benzyl carbamate: it can be used to produce Malonyl-di-benzylurethan at the temperature of 100 - 110 °C. It will need reagent acetic anhydride. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. 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 should not breathe dust. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N
(2)Std. InChI: InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
(3)Std. InChIKey: PUJDIJCNWFYVJX-UHFFFAOYSA-N