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| CAS No.: | 1906-82-7 |
|---|---|
| Name: | Ethyl acetamidoacetate |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C6H11NO3 |
| Molecular Weight: | 145.158 |
| Synonyms: | Aceturicacid, ethyl ester (6CI);Acetylglycine ethyl ester;Ethyl N-acetylglycinate;Ethyl N-acetylglycine;N-Acetylglycine ethyl ester;Ac-Gly-OEt; |
| EINECS: | 217-608-9 |
| Density: | 1.059 g/cm3 |
| Melting Point: | 43-46 °C(lit.) |
| Boiling Point: | 262.8 °C at 760 mmHg |
| Flash Point: | 110.9 °C |
| Appearance: | white shiny crystalline powder |
| Safety: | 24/25 |
| PSA: | 55.40000 |
| LogP: | 0.07650 |
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Specification
The CAS registry number of Glycine, N-acetyl-,ethyl ester is 1906-82-7. Its EINECS registry number is 217-608-9. The IUPAC name is ethyl 2-acetamidoacetate. In addition, the molecular formula is C6H11NO3 and the molecular weight is 145.16. It is also called Ethyl N-acetylglycinate. What's more, it is a kind of white shiny crystalline powder and belongs to the classes of Pharmaceutical Intermediates; Amino Acids Derivatives; Amino ester; Amino Acid Derivatives; Glycine; Peptide Synthesis.
Physical properties about this chemical are: (1)ACD/LogP: -0.54; (2)ACD/LogD (pH 5.5): -0.54; (3)ACD/LogD (pH 7.4): -0.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.13; (7)ACD/KOC (pH 7.4): 12.13; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.428; (13)Molar Refractivity: 35.24 cm3; (14)Molar Volume: 136.9 cm3; (15)Polarizability: 13.97 ×10-24cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Density: 1.059 g/cm3; (18)Flash Point: 110.9 °C; (19)Enthalpy of Vaporization: 50.06 kJ/mol; (20)Boiling Point: 262.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0107 mmHg at 25°C.
Preparation of Glycine, N-acetyl-,ethyl ester: it can be prepared by acetylglycine through esterification reaction. Add acetylglycine and ethanol in the reactor at first. Then add cation exchange resin into the mix. The reaction should reflux for 3 hours with stirring. Then go through the operation of filtering, washing, distillation, concentration and drying to get the products.
Uses of Glycine, N-acetyl-,ethyl ester: it can be used as pharmaceutical intermediates and can be used in the production of ethyl imidazoloate. In addition, it can be used to get 5-ethoxy-2-methyl-oxazole. This reaction will need reagent phosphorus pentoxide and solvent CHCl3. The reaction time is 16 hours by heating. The yield is about 46%.
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When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)OCC)C
(2)InChI: InChI=1/C6H11NO3/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8)
(3)InChIKey: AMBDTBHJFINMSE-UHFFFAOYAF