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Methyl N-benzyloxycarbonylglycinate

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Methyl N-benzyloxycarbonylglycinate

EINECS 214-922-8
CAS No. 1212-53-9 Density 1.19 g/cm3
PSA 64.63000 LogP 1.47670
Solubility N/A Melting Point 22-26℃
Formula C11H13NO4 Boiling Point 364.1 °C at 760 mmHg
Molecular Weight 223.229 Flash Point 174 °C
Transport Information N/A Appearance White crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1212-53-9 (Z-GLY-OME) Hazard Symbols N/A

Glycine,N-carboxy-, N-benzyl methyl ester (6CI,7CI,8CI);(Benzyloxycarbonyl)glycinemethyl ester;Methyl 2-[[(benzyloxy)carbonyl]amino]acetate;MethylN-benzyloxycarbonylglycinate;N-(Carbobenzyloxy)glycine methyl ester;N-(Phenylmethoxycarbonyl)glycine methyl ester;N-Benzyloxycarbonylglycinemethyl ester;NSC 88470;Z-Gly-OMe;

Article Data 39

Methyl N-benzyloxycarbonylglycinate Specification

The Glycine,N-[(phenylmethoxy)carbonyl]-, methyl ester, with the CAS registry number 1212-53-9 and EINECS registry number 214-922-8, has the systematic name of methyl N-[(benzyloxy)carbonyl]glycinate. And the molecular formula of the chemical is C11H13NO4.

The characteristics of Glycine,N-[(phenylmethoxy)carbonyl]-, methyl ester are as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.45; (7)ACD/KOC (pH 5.5): 235.49; (8)ACD/KOC (pH 7.4): 235.41; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 56.84 cm3; (15)Molar Volume: 187.5 cm3; (16)Polarizability: 22.53×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 174 °C; (20)Enthalpy of Vaporization: 61.02 kJ/mol; (21)Boiling Point: 364.1 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-05 mmHg at 25°C. 

Preparation of Glycine,N-[(phenylmethoxy)carbonyl]-, methyl ester: This chemical can be prepared by diazomethane and N-benzyloxycarbonyl-glycine. The reaction will need reagent ethanol. The reaction time is 4 hours with ambient temperature, and the yield is about 80%. 

Uses of Glycine,N-[(phenylmethoxy)carbonyl]-, methyl ester: It can be used to produce N-benzyloxycarbonyl-glycine hydrazide. This reaction will need reagent NH2NH2, and the menstruum ethanol. And the yield is about 90%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)CNC(=O)OCc1ccccc1
(2)InChI: InChI=1/C11H13NO4/c1-15-10(13)7-12-11(14)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)

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