Diethyl 2-cyano-3-iminopentanedioate

Base Information

• Chemical Name: Diethyl 2-cyano-3-iminopentanedioate
• CAS No.: 65523-05-9
• Molecular Formula: C₁₀H₁₄N₂O₄
• Molecular Weight: 226.232
• Hs Code.: 2926909090
• NSC Number: 75644
• DSSTox Substance ID: DTXSID60291452
• Mol file: 65523-05-9.mol

Synonyms:diethyl 2-cyano-3-iminopentanedioate;65523-05-9;Pentanedioic acid,2-cyano-3-imino-, 1,5-diethyl ester;1,5-DIETHYL 2-CYANO-3-IMINOPENTANEDIOATE;NSC75644;starbld0037188;NCIOpen2_004535;DTXSID60291452;NSC-75644

Chemical Property of Diethyl 2-cyano-3-iminopentanedioate

Chemical Property:

• Vapor Pressure: 9.15E-07mmHg at 25°C
• Boiling Point: 404.9°C at 760 mmHg
• Flash Point: 198.7°C
• PSA: 100.24000
• Density: 1.17g/cm³
• LogP: 0.76198
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 226.09535693
• Heavy Atom Count: 16
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2-cyano-3-iminopentanedioate

There total 2 articles about Diethyl 2-cyano-3-iminopentanedioate 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:

sodium cyanoacetic acid ethyl ester (18852-51-2) → 2-Imino-1-cyan-propan-dicarbonsaeure-(1,3)-diaethylester (65523-05-9)

Guidance literature:

With tetrachloromethane; ethanol; at 100 ℃;

Reference yield:

→ 2-Imino-1-cyan-propan-dicarbonsaeure-(1,3)-diaethylester (65523-05-9)

Guidance literature:

Ethylcyanoacetat;

DOI:10.1021/ja00491a039

upstream raw materials:

sodium cyanoacetic acid ethyl ester