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CAS No.: | 39608-31-6 |
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Name: | Z-SAR-OH |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C11H13NO4 |
Molecular Weight: | 223.229 |
Synonyms: | Sarcosine,N-carboxy-, N-benzyl ester (6CI,7CI);2-[(Benzyloxycarbonyl)(methyl)amino]acetic acid;Cbz-Sar-OH;N-(Benzyloxycarbonyl)sarcosine;N-(Phenylmethoxycarbonyl)sarcosine;N-Carbobenzoxysarcosine;NSC 97943;[(Benzyloxycarbonyl)(methyl)amino]aceticacid;Z-Sar-OH;N-[(benzyloxy)carbonyl]-N-methylglycine;2-[methyl(phenylmethoxycarbonyl)amino]acetic acid; |
EINECS: | 1533716-785-6 |
Density: | 1.26 g/cm3 |
Melting Point: | 58-59 °C |
Boiling Point: | 385.6 °C at 760 mmHg |
Flash Point: | 187 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-51 |
PSA: | 66.84000 |
LogP: | 1.33960 |
The Glycine,N-methyl-N-[(phenylmethoxy)carbonyl]-, with the CAS registry number 39608-31-6, has the systematic name of N-[(benzyloxy)carbonyl]-N-methylglycine. It belongs to the product category of Sarcosine [Sar]. And the molecular formula of the chemical is C11H13NO4.
The characteristics of Glycine,N-methyl-N-[(phenylmethoxy)carbonyl]- are as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.41; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 56.76 cm3; (15)Molar Volume: 177.1 cm3; (16)Polarizability: 22.5×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 187 °C; (20)Enthalpy of Vaporization: 66.92 kJ/mol; (21)Boiling Point: 385.6 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-06 mmHg at 25°C.
Preparation of Glycine,N-methyl-N-[(phenylmethoxy)carbonyl]-: This chemical can be prepared by carbonochloridic acid benzyl ester and N-methyl-glycine. The reaction will need reagent Na2CO3, and the menstruum H2O and dioxane. And the yield is about 99%.
Uses of Glycine,N-methyl-N-[(phenylmethoxy)carbonyl]-: It can react with N-hydroxy-succinimide to produce N-(benzyloxycarbonyl)sarcosine N-hydroxysuccinimide ester. This reaction will need reagent dicycloohexylcarbodiimide, and the menstruum 1,2-dimethoxy-ethane. The reaction temperature is 0°C, and the yield is about 75%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CN(C(=O)OCc1ccccc1)C
(2)InChI: InChI=1/C11H13NO4/c1-12(7-10(13)14)11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)
(3)InChIKey: CBWFTZNMONHKNZ-UHFFFAOYAU