N-Benzyloxycarbonyl-N-methylglycine supplier

Name
Z-SAR-OH
EINECS 1533716-785-6
CAS No. 39608-31-6
Article Data26
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 58-59 °C
Formula C₁₁H₁₃NO₄
Boiling Point 385.6 °C at 760 mmHg
Molecular Weight 223.229
Flash Point 187 °C
Transport Information
Appearance
Safety
Risk Codes 22-51
Molecular Structure
Hazard Symbols Xn
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;
PSA 66.84000
LogP 1.33960

N-Benzyloxycarbonyl-N-methylglycine Specification

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

Product Name

Z-SAR-OH

N-Benzyloxycarbonyl-N-methylglycine Specification

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