Ethyl 2-fluorohexanoate

Base Information

• Chemical Name: Ethyl 2-fluorohexanoate
• CAS No.: 17841-31-5
• Molecular Formula: C8H15FO2
• Molecular Weight: 162.204
• DSSTox Substance ID: DTXSID501286599
• Nikkaji Number: J275.584J
• Mol file: 17841-31-5.mol

Synonyms:ethyl 2-fluorohexanoate;ethyl 2-fluorocaproate;SCHEMBL7096850;DXIGKFSVJGQXDJ-UHFFFAOYSA-N;DTXSID501286599;2-fluoro-hexanoic acid ethyl ester;Hexanoic acid, 2-fluoro-, ethyl ester;17841-31-5

Chemical Property of Ethyl 2-fluorohexanoate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 162.10560788
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)OCC)F

Technology Process of Ethyl 2-fluorohexanoate

There total 1 articles about Ethyl 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: 99.0%

Ethyl 2-fluoro-2-hexenoate (816-28-4) → Ethyl hexanoate (123-66-0) + 2-fluoro hexane-1-oate d'ethyle (17841-31-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; Product distribution; Ambient temperature; other catalysts and other fluoroolefins;

DOI:10.1016/0040-4039(91)85071-C

Reference yield:

2-fluoro hexane-1-oate d'ethyle (17841-31-5) → C16H20F4O3

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide; water; pseudomonas lipase P-30 / aq. phosphate buffer / 2 h / 5 °C / pH 7 / Resolution of racemate; Enzymatic reaction

2: lithium aluminium tetrahydride

3: pyridine / tetrachloromethane / 18 h

With pyridine; lithium aluminium tetrahydride; pseudomonas lipase P-30; water; sodium hydroxide; In tetrachloromethane; aq. phosphate buffer;

DOI:10.15227/orgsyn.069.0010

Reference yield:

2-fluoro hexane-1-oate d'ethyle (17841-31-5) → α-fluorohexanoic acid (1578-57-0)

Guidance literature:

With barium dihydroxide;

upstream raw materials:

Ethyl 2-fluoro-2-hexenoate

Downstream raw materials:

α-fluorohexanoic acid

Refernces