4-(trans-4-Ethylcyclohexyl)benzoic acid

Base Information

• Chemical Name: 4-(trans-4-Ethylcyclohexyl)benzoic acid
• CAS No.: 87592-41-4
• Molecular Formula: C15H20O2
• Molecular Weight: 232.323
• DSSTox Substance ID: DTXSID10553239
• Mol file: 87592-41-4.mol

Synonyms:87592-41-4;4-(trans-4-ethylcyclohexyl)benzoic acid;4-((1r,4r)-4-Ethylcyclohexyl)benzoic acid;4-(4-ethylcyclohexyl)benzoic acid;4-trans-ethylcyclohexyl benzoic acid;MFCD06658176;Benzoic acid, 4-(4-ethylcyclohexyl)-, trans-;SCHEMBL8220664;4-ethyl-cyclohexyl benzoic acid;SCHEMBL10784907;DTXSID10553239;DUJHWZDXZFNEKU-UHFFFAOYSA-N;AMY25204;AKOS015838524;DS-16459;SY047091;4-((1r,4r)-4-Ethylcyclohexyl)benzoicacid;CS-0153905;E1253;A24052;F16521;(1r,4r)-4-ethylcyclohexyl benzoate;4-(trans-4-Ethylcyclohexyl)benzoic Acid

Chemical Property of 4-(trans-4-Ethylcyclohexyl)benzoic acid

Chemical Property:

• Vapor Pressure: 0.00602mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 370.1 °C at 760 mmHg
• PKA: 4.33±0.10(Predicted)
• Flash Point: 175 °C
• PSA: 37.30000
• Density: 1.052 g/cm³
• LogP: 4.06860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

4-(trans-4-Ethylcyclohexyl)benzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of 4-(trans-4-Ethylcyclohexyl)benzoic acid

There total 3 articles about 4-(trans-4-Ethylcyclohexyl)benzoic 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:

trans-4-(4-ethylcyclohexyl)benzoic acid n-butyl ester → 4-ethyl(4-trans-cyclohexyl)benzoic acid (87592-41-4)

Guidance literature:

With sodium hydroxide; In water; at 70 ℃; for 2h;

Reference yield:

4-(trans-4-ethylcyclohexyl)phenol (89100-78-7) → 4-ethyl(4-trans-cyclohexyl)benzoic acid (87592-41-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / toluene / 2 h / Reflux

1.2: 10 h / 80 °C

2.1: palladium diacetate; bis-diphenylphosphinomethane; potassium tert-butylate / tetrahydrofuran / 24 h / 60 °C / 22502.3 Torr / Autoclave

3.1: sodium hydroxide / water / 2 h / 70 °C

With potassium tert-butylate; palladium diacetate; potassium carbonate; bis-diphenylphosphinomethane; sodium hydroxide; In tetrahydrofuran; water; toluene;

Reference yield:

trans-4-(4-ethylcyclohexyl)phenyl methanesulfonate → 4-ethyl(4-trans-cyclohexyl)benzoic acid (87592-41-4)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; bis-diphenylphosphinomethane; potassium tert-butylate / tetrahydrofuran / 24 h / 60 °C / 22502.3 Torr / Autoclave

2: sodium hydroxide / water / 2 h / 70 °C

With potassium tert-butylate; palladium diacetate; bis-diphenylphosphinomethane; sodium hydroxide; In tetrahydrofuran; water;

upstream raw materials:

4-(trans-4-ethylcyclohexyl)phenol

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