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CAS No.: | 1212-53-9 |
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Name: | Z-GLY-OME |
Article Data: | 39 |
Cas Database | |
Molecular Structure: | |
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Formula: | C11H13NO4 |
Molecular Weight: | 223.229 |
Synonyms: | 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; |
EINECS: | 214-922-8 |
Density: | 1.19 g/cm3 |
Melting Point: | 22-26℃ |
Boiling Point: | 364.1 °C at 760 mmHg |
Flash Point: | 174 °C |
Appearance: | White crystalline powder |
PSA: | 64.63000 |
LogP: | 1.47670 |
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)
(3)InChIKey: DZYBBBYFLOPVOL-UHFFFAOYAZ