Triethyl 5-cyano-2,3,3-pentanetricarboxylate

Base Information

• Chemical Name: Triethyl 5-cyano-2,3,3-pentanetricarboxylate
• CAS No.: 3228-31-7
• Molecular Formula: C₁₅H₂₃NO₆
• Molecular Weight: 313.351
• NSC Number: 73487
• DSSTox Substance ID: DTXSID101228711

Synonyms:3228-31-7;Triethyl 5-cyano-2,3,3-pentanetricarboxylate;NSC73487;NSC 73487;Triethyl 1-cyano-3,3,4-pentanetricarboxylate;DTXSID101228711;NSC-73487;AKOS024332316;2,3,3-Triethyl 5-cyano-2,3,3-pentanetricarboxylate;5-Cyano-2,3,3-pentanetricarboxylic acid, triethyl ester;triethyl 4-cyano-1-methyl-butane-1,2,2-tricarboxylate

Chemical Property of Triethyl 5-cyano-2,3,3-pentanetricarboxylate

Chemical Property:

• Vapor Pressure: 2.54E-07mmHg at 25°C
• Boiling Point: 421.8°C at 760 mmHg
• Flash Point: 184.4°C
• Density: 1.117g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 313.15253745
• Heavy Atom Count: 22
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Triethyl 5-cyano-2,3,3-pentanetricarboxylate

There total 1 articles about Triethyl 5-cyano-2,3,3-pentanetricarboxylate 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:

triethyl propane-1,1,2-tricarboxylate (6945-45-5) + acrylonitrile (107-13-1,25014-41-9) → 5-cyano-pentane-2,3,3-tricarboxylic acid triethyl ester (3228-31-7)

Guidance literature:

With ethanol; sodium ethanolate;

Reference yield:

5-cyano-pentane-2,3,3-tricarboxylic acid triethyl ester (3228-31-7) → pentane-1,3,4-tricarboxylic acid triethyl ester (7252-77-9)

Guidance literature:

With hydrogenchloride; Erwaermen des Reaktionsprodukts mit Benzol, Aethanol und wenig Schwefelsaeure;

upstream raw materials:

triethyl propane-1,1,2-tricarboxylate

acrylonitrile

Downstream raw materials:

pentane-1,3,4-tricarboxylic acid triethyl ester

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