N-Benzylglycine ethyl ester

The N-Benzylglycine ethyl ester, with the CAS registry number 6436-90-4 and EINECS registry number 229-218-6, has the systematic name of ethyl N-benzylglycinate. And the molecular formula of this chemical is C₁₁H₁₅NO₂. It is a kind of clear colorless to light yellow liquid, and belongs to the following product categories: Benzene derivatives; Glycine [Gly, G]; Amino Acid Ethyl Esters; Amino Acids; Amino Acids (C-Protected); Biochemistry; Amino ester. In addition, it should be stored at 2-8°C. Besides, it is used as medicine intermediate.

The physical properties of N-Benzylglycine ethyl ester are as following: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 1.44; (6)ACD/BCF (pH 7.4): 25.34; (7)ACD/KOC (pH 5.5): 18.65; (8)ACD/KOC (pH 7.4): 328.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 55.07 cm³; (15)Molar Volume: 184 cm³; (16)Polarizability: 21.83×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 121.3 °C; (20)Enthalpy of Vaporization: 51.56 kJ/mol; (21)Boiling Point: 277 °C at 760 mmHg; (22)Vapour Pressure: 0.00464 mmHg at 25°C.

Preparation of N-Benzylglycine ethyl ester: This chemical can be prepared by chloroacetic acid ethyl ester and benzylamine. The reaction will need solvent ethanol. The reaction time is 24 hours with temperature of 20 °C, and the yield is about 20%. 

Uses of N-Benzylglycine ethyl ester: It can react with formic acid to produce N-benzyl-N-formyl-glycine ethyl ester. This reaction will need solvent xylene. The reaction time is 2 hours with heating, and the yield is about 58%.

You should be cautious while dealing with this chemical. It may cause burns, and also harmful by inhalation, in contact with skin and if swallowed. Besides, it also irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CNCc1ccccc1
(2)InChI: InChI=1/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
(3)InChIKey: ULOLIZHBYWAICY-UHFFFAOYAE