Ethyl 2-cyano-2-fluorohexanoate

Base Information

• Chemical Name: Ethyl 2-cyano-2-fluorohexanoate
• CAS No.: 18283-14-2
• Molecular Formula: C9H14FNO2
• Molecular Weight: 187.2114
• NSC Number: 84025
• DSSTox Substance ID: DTXSID60292601
• Mol file: 18283-14-2.mol

Synonyms:18283-14-2;ethyl 2-cyano-2-fluorohexanoate;NSC84025;NCIOpen2_001135;DTXSID60292601;NSC-84025

Chemical Property of Ethyl 2-cyano-2-fluorohexanoate

Chemical Property:

• Vapor Pressure: 0.0299mmHg at 25°C
• Boiling Point: 244.7°Cat760mmHg
• Flash Point: 101.8°C
• Density: 1.043g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 187.10085685
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C#N)(C(=O)OCC)F

Technology Process of Ethyl 2-cyano-2-fluorohexanoate

There total 1 articles about Ethyl 2-cyano-2-fluorohexanoate 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:

ethyl 2-cyanohexanoate (7391-39-1) → 2-Cyano-2-fluoro-hexanoic acid ethyl ester (18283-14-2)

Guidance literature:

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

DOI:10.1021/jm00316a008

Reference yield:

2-Cyano-2-fluoro-hexanoic acid ethyl ester (18283-14-2) → 2-Carbamoyl-2-fluoro-hexanoic acid (18283-37-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00316a008

upstream raw materials:

ethyl 2-cyanohexanoate

Downstream raw materials:

2-Carbamoyl-2-fluoro-hexanoic acid