3-Amino-4-ethoxy-4-oxobutanoic acid

Base Information

• Chemical Name: 3-Amino-4-ethoxy-4-oxobutanoic acid
• CAS No.: 21860-85-5
• Molecular Formula: C₆H₁₁NO₄
• Molecular Weight: 161.158
• Hs Code.: 2922509090
• NSC Number: 120026
• DSSTox Substance ID: DTXSID20298003
• Mol file: 21860-85-5.mol

Synonyms:3-Amino-4-ethoxy-4-oxobutanoic acid;21860-85-5;Ethyl Aspartate;33409-66-4;NSC120026;3-amino-4-ethoxy-4-oxobutanoic acid(non-preferred name);.alpha.-Ethyl aspartate;dl-aspartic acid 1-ethylester;SCHEMBL1074665;DTXSID20298003;WXFCDLWCQIARFW-UHFFFAOYSA-N;AKOS006295517;NSC-120026;3-Amino-4-ethoxy-4-oxobutanoic acid #

Chemical Property of 3-Amino-4-ethoxy-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 0.000747mmHg at 25°C
• Boiling Point: 284.9°Cat760mmHg
• Flash Point: 126.1°C
• PSA: 89.62000
• Density: 1.242g/cm³
• LogP: 0.05180
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CC(=O)O)N

Technology Process of 3-Amino-4-ethoxy-4-oxobutanoic acid

There total 4 articles about 3-Amino-4-ethoxy-4-oxobutanoic acid 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:

→ 2-amino-succinic acid 4-ethyl ester (21860-85-5)

Guidance literature:

With sodium amalgam; acetic acid; Reduktion der beiden Stereoisomeren vom Edukt 1;

Reference yield:

Diethyl 2-(Hydroxyimino)succinate (131401-52-0) → 2-amino-succinic acid 4-ethyl ester (21860-85-5)

Guidance literature:

With ethanol; sulfuric acid; sodium; man isoliert den Ester ueber das Kupfersalz;

Reference yield:

N-benzyloxycarbonyl-DL-aspartic acid-1-ethyl ester (126401-08-9) → 2-amino-succinic acid 4-ethyl ester (21860-85-5)

Guidance literature:

With ethanol; palladium; Hydrogenation;

upstream raw materials:

Diethyl 2-(Hydroxyimino)succinate

N-benzyloxycarbonyl-DL-aspartic acid-1-ethyl ester