Aspartic acid, diethyl ester

Base Information

• Chemical Name: Aspartic acid, diethyl ester
• CAS No.: 43101-48-0
• Molecular Formula: C8H15NO4
• Molecular Weight: 189.211
• Hs Code.: 2922499990
• European Community (EC) Number: 256-095-6
• DSSTox Substance ID: DTXSID70885886
• Mol file: 43101-48-0.mol

Synonyms:aspartic acid diethyl ester

Chemical Property of Aspartic acid, diethyl ester

Chemical Property:

• Boiling Point: 259.5°Cat760mmHg
• PKA: 6.19±0.33(Predicted)
• Flash Point: 97.5°C
• PSA: 78.62000
• Density: 1.102g/cm³
• LogP: 0.53030
• Solubility.: Ethanol, Water
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 189.10010796
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

AsparticAcidDiethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(C(=O)OCC)N
• Uses: Aspartic Acid Diethyl Ester is an intermediate in the synthesis of Aspartic Acid (A788955) related compounds.

Technology Process of Aspartic acid, diethyl ester

There total 14 articles about Aspartic acid, diethyl ester 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: 67.0%

ethanol (64-17-5) + aspartic Acid (617-45-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) → DL-aspartic acid diethyl ester (43101-48-0)

Guidance literature:

With thionyl chloride; at -78 - 20 ℃; for 16h; Product distribution / selectivity;

Reference yield:

diethyl Fumarate (623-91-6) → DL-aspartic acid diethyl ester (43101-48-0)

Guidance literature:

With ammonia; In 1,4-dioxane;

DOI:10.1016/0040-4020(95)00391-K

Reference yield:

Diethyl maleate (141-05-9) → DL-aspartic acid diethyl ester (43101-48-0) + diethyl Fumarate (623-91-6)

Guidance literature:

With ammonia; In 1,4-dioxane;

DOI:10.1016/0040-4020(95)00391-K

upstream raw materials:

Diethyl 2-(Hydroxyimino)succinate

nitroso-succinic acid diethyl ester

(2E)-but-2-enedioic acid

ethanol

Downstream raw materials:

ASPARAGINE

L-aspartic acid diethyl ester

(2-phenyl-1⁽³⁾H-imidazol-4-yl)-acetic acid ethyl ester

aspartic Acid