BENZYL N-(2-HYDROXYETHYL)CARBAMATE

The Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester, with the CAS registry number 77987-49-6, is also known as N-Cbz-glycinol. It belongs to the product categories of Amino Alcohols; Z-Amino Acid Series. This chemical's molecular formula is C₁₀H₁₃NO₃ and molecular weight is 195.22. What's more, its systematic name is called Benzyl (2-hydroxyethyl)carbamate.

Physical properties about Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.67; (8)ACD/KOC (pH 7.4): 94.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 51.97 cm³; (15)Molar Volume: 165 cm³; (16)Surface Tension: 47.2 dyne/cm; (17)Density: 1.182 g/cm³; (18)Flash Point: 179.1 °C; (19)Enthalpy of Vaporization: 65.38 kJ/mol; (20)Boiling Point: 372.5 °C at 760 mmHg; (21)Vapour Pressure: 3.28E-06 mmHg at 25 °C.

Preparation of Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester: this chemical can be prepared by 2-Amino-ethanol with Carbonochloridic acid benzyl ester. This reaction needs reagent Na₂CO₃ at temperature of 0-8 °C. The reaction time is 3 hours. The yield is 83 %.

Uses of Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester: it is used to produce other chemicals. For example, it is used to produce 2-[(Benzyloxycarbonyl)amino]ethyl 3-oxobutanoate. The reaction occurs with reagent Triethylamine and solvent CH₂Cl₂ for 6 hours. The yield is 75 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)NCCO
(2) InChI: InChI=1/C10H13NO3/c12-7-6-11-10(13)14-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
(3) InChIKey: SAGINAGERRNGGV-UHFFFAOYAG