Diethyl 2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioate

Base Information

• Chemical Name: Diethyl 2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioate
• CAS No.: 85963-69-5
• Molecular Formula: C15H23NO6
• Molecular Weight: 313.351
• NSC Number: 143371
• DSSTox Substance ID: DTXSID30301436

Synonyms:85963-69-5;diethyl 2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioate;NSC143371;DTXSID30301436;AKOS030242970;NSC-143371;A842091;2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioic acid diethyl ester;diethyl 2-cyano-3-(2-ethoxy-2-oxidanylidene-ethyl)-3-methyl-pentanedioate

Chemical Property of Diethyl 2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioate

Chemical Property:

• Vapor Pressure: 4.76E-07mmHg at 25°C
• Boiling Point: 413.5°C at 760 mmHg
• Flash Point: 180.8°C
• Density: 1.117g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 313.15253745
• Heavy Atom Count: 22
• Complexity: 430

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioate

There total 5 articles about Diethyl 2-cyano-3-(2-ethoxy-2-oxoethyl)-3-methylpentanedioate 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%

diethyl 3-methylpent-2-enedioate (924-59-4) + sodium salt of ethyl cyanoacetate → α-Cyanethan-1,1,1-triessigsaeure-triethylester (85963-69-5)

Guidance literature:

In ethanol;

Reference yield: 45.0%

diethyl 3-methylpent-2-enedioate (924-59-4) + ethyl 2-cyanoacetate (105-56-6) → α-Cyanethan-1,1,1-triessigsaeure-triethylester (85963-69-5)

Guidance literature:

With sodium ethanolate; In ethanol; Heating;

DOI:10.1070/MC2005v015n05ABEH002164

Reference yield:

ethyl 2-cyanoacetate (105-56-6) → α-Cyanethan-1,1,1-triessigsaeure-triethylester (85963-69-5)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

diethyl 3-methylpent-2-enedioate

ethyl 2-cyanoacetate

sodium cyanoacetic acid ethyl ester

ethyl isodehydroacetate

Downstream raw materials:

3-carboxymethyl-3-methylpentadioic acid

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