1-(4-Fluorophenyl)cyclopentanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Fluorophenyl)cyclopentanecarboxylic acid
• CAS No.: 214262-99-4
• Molecular Formula: C12H12FO2-
• Molecular Weight: 208.09
• Hs Code.: 2916399090
• European Community (EC) Number: 878-145-1
• DSSTox Substance ID: DTXSID40352939
• Wikidata: Q72475784
• Mol file: 214262-99-4.mol

Synonyms:1-(4-fluorophenyl)cyclopentanecarboxylic acid;214262-99-4;1-(4-fluorophenyl)cyclopentane-1-carboxylic Acid;1-(4-fluorophenyl)cyclopentanecarboxylicacid;Cyclopentanecarboxylic acid, 1-(4-fluorophenyl)-;SCHEMBL1421838;AMY4624;DTXSID40352939;MFCD00800626;AKOS000101722;AB90938;BS-11728;CS-0132694;EN300-21604;1-(4-fluoro phenyl)cyclopentanecarboxylic acid;1-(4-fluorophenyl) cyclopentanecarboxylic acid;1-(4-Fluorophenyl)cyclopentane-carboxylic acid;1-(4-fluoro-phenyl)-cyclopentanecarboxylic acid;1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid;1-(4-Fluorophenyl)cyclopentanecarboxylic acid,98;J-503313;Z104503834

Chemical Property of 1-(4-Fluorophenyl)cyclopentanecarboxylic acid

Chemical Property:

• Vapor Pressure: 5.15E-05mmHg at 25°C
• Melting Point: 160oC
• Boiling Point: 334.2°C at 760 mmHg
• PKA: 4.36±0.20(Predicted)
• Flash Point: 155.9°C
• PSA: 37.30000
• Density: 1.241g/cm³
• LogP: 2.72210
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.08995782
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Fluorophenyl)cyclopentanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)O

Technology Process of 1-(4-Fluorophenyl)cyclopentanecarboxylic acid

There total 4 articles about 1-(4-Fluorophenyl)cyclopentanecarboxylic 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%

1-(4-fluorophenyl)cyclopentane-1-carbonitrile (83706-50-7) → 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid (214262-99-4)

Guidance literature:

With sulfuric acid; water; at 150 ℃; for 5h;

DOI:10.1248/cpb.59.1376

Reference yield:

4-fluorobenzeneacetic acid methyl ester (34837-84-8) → 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid (214262-99-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0 °C

1.2: 1,4-halobutane / 18.17 h / 0 - 50 °C

2.1: sodium hydroxide / methanol; water / 3 h / Reflux

With sodium hydride; sodium hydroxide; In tetrahydrofuran; methanol; water; mineral oil;

DOI:10.1021/acs.jmedchem.0c00230

Reference yield:

4-fluorophenylacetonitrile (459-22-3) → 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid (214262-99-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 3 h / 20 °C / Cooling with ice

2: sulfuric acid; water / 5 h / 150 °C

With sulfuric acid; water; sodium hydride; In N,N-dimethyl-formamide; mineral oil;

DOI:10.1248/cpb.59.1376

upstream raw materials:

1-(4-fluorophenyl)cyclopentane-1-carbonitrile

4-fluorophenylacetonitrile

4-fluorobenzeneacetic acid methyl ester

Downstream raw materials:

C₂₄H₂₈ClFN₂O₃