6-(4-Fluorophenyl)hexanoic acid

Base Information

• Chemical Name: 6-(4-Fluorophenyl)hexanoic acid
• CAS No.: 89326-72-7
• Molecular Formula: C12H15FO2
• Molecular Weight: 210.248
• DSSTox Substance ID: DTXSID80563466
• Wikidata: Q82447909
• Mol file: 89326-72-7.mol

Synonyms:6-(4-fluorophenyl)hexanoic acid;89326-72-7;Benzenehexanoic acid, 4-fluoro-;6-(4-fluorophenyl)hexanoicacid;SCHEMBL2489624;DTXSID80563466;CDSLZCNLWIKHJH-UHFFFAOYSA-N;AKOS009481847;CS-0235145;EN300-153308;G54643;Z424791162

Chemical Property of 6-(4-Fluorophenyl)hexanoic acid

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 210.10560788
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCCC(=O)O)F

Technology Process of 6-(4-Fluorophenyl)hexanoic acid

There total 8 articles about 6-(4-Fluorophenyl)hexanoic 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: 82.0%

ethyl 2-ethoxycarbonyl-6-(4'-fluorophenyl)hexanoate (89326-71-6) → 6-(4'-fluorophenyl)hexanoic acid (89326-72-7)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 6h; Heating;

DOI:10.1016/0039-128X(83)90101-0

Reference yield: 79.0%

(E)-6-(4-fluorophenyl)hex-5-enoic acid (128577-57-1) → 6-(4'-fluorophenyl)hexanoic acid (89326-72-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 25 ℃; for 1h; under 1551.4 Torr;

DOI:10.1021/jm00172a020

Reference yield:

(4-carboxybutyl)triphenylphosphonium bromide (17814-85-6) → 6-(4'-fluorophenyl)hexanoic acid (89326-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) lithium hexamethyldisilazide / 1.) THF, hexane, 25 deg C, 1 h, 2.) 25 deg C, 2 h

2: 79 percent / H₂ / 5percent Pd/C / ethyl acetate / 1 h / 25 °C / 1551.4 Torr

With hydrogen; lithium hexamethyldisilazane; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jm00172a020

upstream raw materials:

(E)-6-(4-fluorophenyl)hex-5-enoic acid

ethyl 2-ethoxycarbonyl-6-(4'-fluorophenyl)hexanoate

4-(4-fluorophenyl)-1-butanol

ethyl 4-(4'-fluorophenyl)butanoate

Downstream raw materials:

4,4'-(5-bromopentane-1,1-diyl)bis(fluorobenzene)

4,4'-bis(5-bromopent-1-ene-1,1-diyl)bis(flurobenzene)