5-(4-Fluorophenyl)valeric acid

Base Information

• Chemical Name: 5-(4-Fluorophenyl)valeric acid
• CAS No.: 24484-22-8
• Molecular Formula: C11H13 F O2
• Molecular Weight: 196.221
• Hs Code.: 2916399090
• European Community (EC) Number: 623-871-4
• DSSTox Substance ID: DTXSID00370437
• Wikidata: Q82157611
• Mol file: 24484-22-8.mol

Synonyms:5-(4-Fluorophenyl)valeric acid;24484-22-8;5-(4-fluorophenyl)pentanoic Acid;Benzenepentanoic acid, 4-fluoro-;MFCD00800242;5-(4'-fluorophenyl)valeric acid;SCHEMBL414487;DTXSID00370437;BXEFPLJKYWEEAN-UHFFFAOYSA-N;5-(4-fluorophenyl)-pentanoic acid;5-(4-fluoro-phenyl)-pentanoic acid;BBL100703;STL554497;AKOS005254825;PS-8270;5-(4-Fluorophenyl)valeric acid, 97%;AM803576;CS-0308917;FT-0619653;EN300-140623;W10185;J-015545;Z361415604

Chemical Property of 5-(4-Fluorophenyl)valeric acid

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Melting Point: 75-79 °C(lit.)
• Boiling Point: 335.6 °C at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 156.8 °C
• PSA: 37.30000
• Density: 1.15 g/cm³
• LogP: 2.62310
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.08995782
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Fluorophenyl)valeric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCC(=O)O)F

Technology Process of 5-(4-Fluorophenyl)valeric acid

There total 12 articles about 5-(4-Fluorophenyl)valeric 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: 93.0%

ethyl 5-(4-fluorophenyl)pentanoate → 5-(4-fluorophenyl)-pentanoic acid (24484-22-8)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2013.07.010

Reference yield: 60.0%

carbon dioxide (124-38-9,18923-20-1) + 1-(but-3-en-1-yl)-4-fluorobenzene (2248-13-7) → 5-(4-fluorophenyl)-pentanoic acid (24484-22-8)

Guidance literature:

1-(but-3-en-1-yl)-4-fluorobenzene; With bis(cyclopentadienyl)titanium dichloride; isopropylmagnesium chloride; In diethyl ether; at 30 ℃; for 8h; Schlenk technique; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at 20 ℃; for 0.5h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00665

Reference yield: 50.0%

2-[3-(4-fluorophenyl)propyl]malonic acid (24484-54-6) → 5-(4-fluorophenyl)-pentanoic acid (24484-22-8)

Guidance literature:

at 170 - 180 ℃; for 0.166667h;

upstream raw materials:

5-(4-fluorophenyl)-3-pentenoic acid

2-[3-(4-fluorophenyl)propyl]malonic acid

4-fluorobenzaldehyde

pent-4-enoic acid

Downstream raw materials:

5-(4-fluorophenyl)pentanoyl chloride

1-(4-fluorophenyl)-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)-2-azetidinone

N-(4-fluorophenyl)-5-(4-fluorophenyl)-2-(4-hydroxybenzyl)pentanamide

1-(4-fluorophenyl)-(3R)-[3-(4-fluorophenyl)propyl]-(4S)-(4-hydroxyphenyl)-2-azetidinone