1-(1,1,2,2-Tetrafluoroethyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(1,1,2,2-Tetrafluoroethyl)cyclohexanecarboxylic acid
• CAS No.: 144194-04-7
• Molecular Formula: C₉H₁₂F₄O₂
• Molecular Weight: 228.187
• DSSTox Substance ID: DTXSID70162649
• Wikidata: Q83031374
• Mol file: 144194-04-7.mol

Synonyms:144194-04-7;1-(1,1,2,2-Tetrafluoroethyl)cyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 1-(1,1,2,2-tetrafluoroethyl)-;1-(1,1,2,2-tetrafluoroethyl)cyclohexane-1-carboxylic acid;DTXSID70162649;EN300-1947149

Chemical Property of 1-(1,1,2,2-Tetrafluoroethyl)cyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00245mmHg at 25°C
• Boiling Point: 266.7°Cat760mmHg
• Flash Point: 115.1°C
• Density: 1.322g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 228.07734227
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(1,1,2,2-Tetrafluoroethyl)cyclohexanecarboxylic acid

There total 3 articles about 1-(1,1,2,2-Tetrafluoroethyl)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:

2,2,3,3-tetrafluorospiro<5.3>nonan-1-one (144194-03-6) → 1-(1,1,2,2-Tetrafluoro-ethyl)-cyclohexanecarboxylic acid (144194-04-7)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1021/jo00050a052

Reference yield:

ethyl cyclohexanecarboxylate (3289-28-9) → 1-(1,1,2,2-Tetrafluoro-ethyl)-cyclohexanecarboxylic acid (144194-04-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) n-BuLi, diisopropylamine / 1.) THF, hexane, -60 deg C, 1 h, 2.) HMPA, -60 deg C

2: NaOH / ethanol

With sodium hydroxide; n-butyllithium; diisopropylamine; In ethanol;

DOI:10.1021/jo00050a052

Reference yield:

1-Ethoxy-2,2,3,3-tetrafluoro-spiro[3.5]nonan-1-ol (144194-02-5) → 1-(1,1,2,2-Tetrafluoro-ethyl)-cyclohexanecarboxylic acid (144194-04-7)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1021/jo00050a052

upstream raw materials:

1-Ethoxy-2,2,3,3-tetrafluoro-spiro[3.5]nonan-1-ol

2,2,3,3-tetrafluorospiro<5.3>nonan-1-one

ethyl cyclohexanecarboxylate