Ethyl acetamidoacetate

Base Information

• Chemical Name: Ethyl acetamidoacetate
• CAS No.: 1906-82-7
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• Hs Code.: 29241990
• European Community (EC) Number: 217-608-9
• DSSTox Substance ID: DTXSID30172542
• Nikkaji Number: J144.107H
• Wikidata: Q72472130
• ChEMBL ID: CHEMBL3278870
• Mol file: 1906-82-7.mol

Synonyms:ethyl acetylglycine;ethylaceturate

Chemical Property of Ethyl acetamidoacetate

Chemical Property:

• Appearance/Colour: white shiny crystalline powder
• Vapor Pressure: 0.0107mmHg at 25°C
• Melting Point: 43-46 °C(lit.)
• Refractive Index: 1.428
• Boiling Point: 262.8 °C at 760 mmHg
• PKA: 14.75±0.46(Predicted)
• Flash Point: 110.9 °C
• PSA: 55.40000
• Density: 1.059 g/cm³
• LogP: 0.07650
• Storage Temp.: Store below +30°C.
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acetyl-glycine ethyl ester ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CNC(=O)C
• Uses: Ethyl Acetamidoacetate is used in biological studies as pre-fermentative replacement of SO2 by lysozyme and oenological tannins effects on flavor volatiles during the bottled storage of white wines.

Technology Process of Ethyl acetamidoacetate

There total 37 articles about Ethyl acetamidoacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

glycine ethyl ester hydrochloride (623-33-6) + acetyl chloride (75-36-5) → ethyl acetamidoacetate (1906-82-7)

Guidance literature:

With triethylamine; In dichloromethane; Ambient temperature; 1-2 h;

DOI:10.1016/S0040-4020(01)91595-9

Reference yield: 79.0%

C24H26NO3PS → ethyl acetamidoacetate (1906-82-7)

Guidance literature:

In neat (no solvent);

DOI:10.1080/00397911.2011.606043

Reference yield: 74.0%

ethyl N-acetyl-N-(2-isopropyl-3,4-dihydro-4-oxoquinazolin-3-yl)-2-aminoacetate (144522-61-2) → ethyl acetamidoacetate (1906-82-7)

Guidance literature:

With aluminium amalgam; In ethyl acetate;

DOI:10.1039/c39920001256

upstream raw materials:

ethyl 2-(acetylamino)-3-oxobutanoate

sodium ethanolate

glycine ethyl ester hydrochloride

acetic anhydride

Downstream raw materials:

N-acetyl-glycine cyclohexylamide

5-ethoxy-2-methyl-thiazole

glycine

N-acetylglycine

Refernces

• 1、 Nagarajan, Sangaraiah,Shanmugavelan, Poovan,Sathishkumar, Murugan,Priyadharshini, Namachivayam,Sudakar, Padmanaban,Ponnuswamy, Alagusundaram. "Chemoselectivity in coupling of azides with thioacids in solution-phase and solvent-free conditions". . p. 668 - 680. Retrieved 2013/01/15.
• 2、 Bendedouche, Choukri Kamel,Benhaoua, Hadj. "Copper-exchanged bentonite: A reusable catalysis for the formation of alkoxycarbonyl nitrile ylides under microwave irradiation". experimental part. p. 149 - 151. Retrieved 2012/10/18.