Ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate

Base Information

• Chemical Name: Ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate
• CAS No.: 14891-08-8
• Molecular Formula: C₁₂H₂₁NO₆
• Molecular Weight: 275.302
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID60402662
• Wikidata: Q82206107
• Mol file: 14891-08-8.mol

Synonyms:14891-08-8;ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate;ethyl 3-[(ethoxycarbonyl)(2-ethoxy-2-oxoethyl)amino]propanoate;Ethyl 3-((2-ethoxy-2-oxoethyl)(ethoxycarbonyl)amino)propanoate;N-(ETHOXYCARBONYL)-N-(ETHOXYCARBONYKLETHYL)GLYCINE ETHYL ESTER;SCHEMBL1935858;DTXSID60402662;MFCD00027803;AKOS024336213;AB10151;AS-9786;ETHYL 2-(ETHOXYCARBONYL)ETHYL(ETHOXYCARBONYL)METHYLCARBAMATE;ethyl N-(ethoxycarbonyl)-N-(2-ethoxy-2-oxoethyl)-beta-alaninate;ethyl N-(ethoxycarbonylmethyl)-N-(ethoxycarbonyl)-beta-alaninate

Chemical Property of Ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate

Chemical Property:

• PSA: 82.14000
• LogP: 0.96120
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 275.13688739
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

99.90% ^*data from raw suppliers

ETHYL N-(ETHOXYCARBONYL)-N-(ETHOXYCARBONYLMETHYL)-3-AMINOPROPIONATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCN(CC(=O)OCC)C(=O)OCC

Technology Process of Ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate

There total 4 articles about Ethyl 3-[ethoxycarbonyl-(2-ethoxy-2-oxoethyl)amino]propanoate 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:

diethyl 2-azabutane-1,4-dicarboxylate (3783-61-7) + chloroformic acid ethyl ester (541-41-3) → N-ethoxycarbonyl-N-ethoxycarbonylmethyl-β-alanine ethyl ester (14891-08-8)

Guidance literature:

With sodium carbonate;

Reference yield:

ethyl 3-<(ethoxycarbonyl)amino>propionate (4143-07-1) + chloroformic acid ethyl ester (541-41-3) → N-ethoxycarbonyl-N-ethoxycarbonylmethyl-β-alanine ethyl ester (14891-08-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 24h;

Reference yield:

ethyl acrylate (140-88-5,9003-32-1) → N-ethoxycarbonyl-N-ethoxycarbonylmethyl-β-alanine ethyl ester (14891-08-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 7 h / 20 °C

2: potassium iodide; potassium carbonate / 5 h / 50 °C

With potassium carbonate; potassium iodide; In ethanol;

upstream raw materials:

diethyl 2-azabutane-1,4-dicarboxylate

chloroformic acid ethyl ester

ethyl 3-<(ethoxycarbonyl)amino>propionate

ethyl acrylate

Downstream raw materials:

ethyl 1-ethoxycarbonyl-3-oxo-pyrrolidine-2-carboxylate

ethyl 1-ethoxycarbonyl-4-oxopyrrolidine-3-carboxylate

(+/-)-3β-(benzyloxy)-1-(ethoxycarbonyl)-2β-(prop-1-en-3-yl)pyrrolidine