1-(3-Fluorophenyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(3-Fluorophenyl)cyclohexanecarboxylic acid
• CAS No.: 214262-98-3
• Molecular Formula: C13H14FO2-
• Molecular Weight: 222.259
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80352938
• Wikidata: Q82130373
• Mol file: 214262-98-3.mol

Synonyms:1-(3-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID;214262-98-3;1-(3-fluorophenyl)cyclohexane-1-carboxylic Acid;SCHEMBL435932;DTXSID80352938;RIQOIHJORXEGFT-UHFFFAOYSA-N;AKOS000345195;AB90644;NCGC00336803-01;CS-0216685;EN300-54578;C78050;AB01330744-02;1-(3-FLUOROPHENYL)CYCLOHEXANECARBOXYLICACID;A879108;J-503146;1-(3-Fluorophenyl)cyclohexanecarboxylic acid, AldrichCPR;Z228588650

Chemical Property of 1-(3-Fluorophenyl)cyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 9.3E-06mmHg at 25°C
• Melting Point: 132oC
• Boiling Point: 358.3°Cat760mmHg
• PKA: 4.30±0.20(Predicted)
• Flash Point: 170.5°C
• PSA: 37.30000
• Density: g/cm³
• LogP: 3.11220
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.10560788
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Fluorophenyl)cyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC(=CC=C2)F)C(=O)O

Technology Process of 1-(3-Fluorophenyl)cyclohexanecarboxylic acid

There total 3 articles about 1-(3-Fluorophenyl)cyclohexanecarboxylic 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:

1,5-dibromo-pentane (111-24-0) → 1-(3-fluorophenyl)-cyclohexanecarboxylic acid (214262-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / dimethyl sulfoxide

2: sodium hydroxide / trimethyleneglycol

With sodium hydride; sodium hydroxide; In dimethyl sulfoxide; trimethyleneglycol;

DOI:10.1016/j.bmcl.2011.01.016

Reference yield:

1-(3-fluorophenyl)cyclohexanecarbonitrile (214262-91-6) → 1-(3-fluorophenyl)-cyclohexanecarboxylic acid (214262-98-3)

Guidance literature:

With sodium hydroxide; In trimethyleneglycol;

DOI:10.1016/j.bmcl.2011.01.016

Reference yield:

3-fluorophenylacetonitrile (501-00-8) → 1-(3-fluorophenyl)-cyclohexanecarboxylic acid (214262-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / dimethyl sulfoxide

2: sodium hydroxide / trimethyleneglycol

With sodium hydride; sodium hydroxide; In dimethyl sulfoxide; trimethyleneglycol;

DOI:10.1016/j.bmcl.2011.01.016

upstream raw materials:

1,5-dibromo-pentane

1-(3-fluorophenyl)cyclohexanecarbonitrile

3-fluorophenylacetonitrile

Downstream raw materials:

(1-(3-fluorophenyl)cyclohexyl)methanol

1-(3-fluorophenyl)cyclohexanecarbaldehyde

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