6-Fluorohexanoic acid

Base Information

• Chemical Name: 6-Fluorohexanoic acid
• CAS No.: 373-05-7
• Molecular Formula: C6H11FO2
• Molecular Weight: 134.1487
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID60190739
• Nikkaji Number: J49.417H
• Wikidata: Q83063133
• Mol file: 373-05-7.mol

Synonyms:6-Fluorohexanoic acid;373-05-7;HEXANOIC ACID, 6-FLUORO-;omega-Fluorohexanoic acid;BRN 1749730;6-Fluorocaproic acid;6-fluoro-hexanoic acid;.omega.-Fluorohexanoic acid;SCHEMBL1706463;DTXSID60190739;AKOS006381261;AT32879;LS-75305;EN300-1859194;Z1205494157

Chemical Property of 6-Fluorohexanoic acid

Chemical Property:

• Vapor Pressure: 0.03mmHg at 25°C
• Refractive Index: 1.4166
• Boiling Point: 226.2°Cat760mmHg
• Flash Point: 90.6°C
• PSA: 37.30000
• Density: 1.05g/cm³
• LogP: 1.60090
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.07430775
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%min ^*data from raw suppliers

6-FLUOROHEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)O)CCF

Technology Process of 6-Fluorohexanoic acid

There total 8 articles about 6-Fluorohexanoic acid 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: 97.0%

methyl 6-fluorohexanoate (333-07-3) → 6-fluoro hexanoic acid (373-05-7)

Guidance literature:

With trifluoroacetic acid; In water; acetonitrile; at 80 ℃; for 0.166667h;

DOI:10.1002/ejoc.202000934

Reference yield: 24.0%

6-iodohexanoic acid (4224-63-9) → 6-fluoro hexanoic acid (373-05-7)

Guidance literature:

With potassium fluoride; tetrabutyl ammonium fluoride; In tetrahydrofuran; acetonitrile; at 80 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1002/ejoc.202000934

Reference yield:

6-Fluorohexanenitrile (373-31-9) → 6-fluoro hexanoic acid (373-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen chloride; methanol / anschliessend Behandeln mit Wasser

2: aqueous sulfuric acid

With hydrogenchloride; methanol; sulfuric acid;

DOI:10.1021/ja01591a062

upstream raw materials:

caprolactam

6-fluoro-hexan-1-ol

methyl 6-fluorohexanoate

6-Fluorohexanenitrile

Downstream raw materials:

6-fluoro-hexanoic acid amide

Refernces