Diethyl 2-cyano-2-fluoropentanedioate

Base Information

• Chemical Name: Diethyl 2-cyano-2-fluoropentanedioate
• CAS No.: 18283-29-9
• Molecular Formula: C₁₀H₁₄FNO₄
• Molecular Weight: 231.224
• NSC Number: 84028
• DSSTox Substance ID: DTXSID40292604
• Mol file: 18283-29-9.mol

Synonyms:18283-29-9;diethyl 2-cyano-2-fluoropentanedioate;NSC84028;DTXSID40292604;NSC-84028

Chemical Property of Diethyl 2-cyano-2-fluoropentanedioate

Chemical Property:

• Vapor Pressure: 0.000997mmHg at 25°C
• Boiling Point: 302.3°Cat760mmHg
• Flash Point: 136.6°C
• Density: 1.159g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 231.09068609
• Heavy Atom Count: 16
• Complexity: 309

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)CCC(C#N)(C(=O)OCC)F

Technology Process of Diethyl 2-cyano-2-fluoropentanedioate

There total 1 articles about Diethyl 2-cyano-2-fluoropentanedioate 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:

diethyl 2-cyanoglutarate (7251-97-0) → 2-Cyano-2-fluoro-pentanedioic acid diethyl ester (18283-29-9)

Guidance literature:

Multistep reaction; (i) Na, toluene, (ii) ClO₃F;

DOI:10.1021/jm00316a008

upstream raw materials:

diethyl 2-cyanoglutarate