Trans-4-(Trans-4-Butylcyclohexyl)Cyclohexanecarboxylic Acid

Base Information

• Chemical Name: Trans-4-(Trans-4-Butylcyclohexyl)Cyclohexanecarboxylic Acid
• CAS No.: 89111-63-7
• Molecular Formula: C17H30O2
• Molecular Weight: 266.424
• Hs Code.: 2916209090
• European Community (EC) Number: 618-242-6,856-240-9
• DSSTox Substance ID: DTXSID90364825
• Nikkaji Number: J2.716.498F
• Mol file: 89111-63-7.mol

Synonyms:89111-63-7;Trans-4-(Trans-4-Butylcyclohexyl)Cyclohexanecarboxylic Acid;trans-4-(trans-4'-Butylcyclohexyl)cyclohexanecarboxylic acid;1126675-09-9;4'-butyl-1,1'-bi(cyclohexyl)-4-carboxylic acid;4-(4-butylcyclohexyl)cyclohexane-1-carboxylic acid;(trans,trans)-4'-Butyl-[1,1'-bi(cyclohexane)]-4-carboxylic acid;trans,trans-4'-Butylbicyclohexyl-4-carboxylic Acid;4'-Butyl-[1,1'-bicyclohexyl]-4-carboxylic acid;1'-butyl-4,4'-bi(cyclohexane)-1-carboxylic acid;4'-BUTYL-[1,1'-BI(CYCLOHEXANE)]-4-CARBOXYLIC ACID;(1R,1'S,4R,4'R)-4'-BUTYL-[1,1'-BI(CYCLOHEXANE)]-4-CARBOXYLIC ACID;TimTec1_008237;Oprea1_203914;Oprea1_741484;SCHEMBL958014;SCHEMBL1507883;SCHEMBL1507884;SCHEMBL4170124;SCHEMBL4170128;DTXSID90364825;HMS1557G09;MFCD00625175;MFCD06797517;STK098512;AKOS000727740;AKOS015915061;AKOS024438156;AKOS025117005;SB66583;4'-butylbicyclohexane-4-carboxylic acid;AS-71566;B5317;CS-0325230;FT-0688769;T71433;A861307;AH-034/32470001;4'-Butyl[1,1'-bi(cyclohexane)]-4-carboxylic acid;A1-01904;J-525015;Trans-4-(Trans-4-Butylcyclohexyl)CyclohexanecarboxylicAcid;(trans,trans)-4'-Butyl-[1,1'-bicyclohexyl]-4-carboxylic acid;(trans,trans)-4'-Butyl-[1,1'-bi(cyclohexane)]-4-carboxylicacid;(1alpha)-4beta-[(1alpha)-4beta-Butylcyclohexyl]cyclohexanecarboxylic acid

Chemical Property of Trans-4-(Trans-4-Butylcyclohexyl)Cyclohexanecarboxylic Acid

Chemical Property:

• Boiling Point: 385.7 °C at 760 mmHg
• Flash Point: 185.984 °C
• PSA: 37.30000
• Density: 0.989 g/cm³
• LogP: 4.87400
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 266.224580195
• Heavy Atom Count: 19
• Complexity: 271

Purity/Quality:

99%, ^*data from raw suppliers

trans,trans-4'-Butylbicyclohexyl-4-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of Trans-4-(Trans-4-Butylcyclohexyl)Cyclohexanecarboxylic Acid

There total 2 articles about Trans-4-(Trans-4-Butylcyclohexyl)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: 70.0%

p-(4-trans-butylcyclohexyl)benzoic acid (83626-35-1) → 4-trans-(4-trans-butylcyclohexyl)cyclohexanecarboxylic acid (89111-63-7) + 4-cis-(4-trans-butylcyclohexyl)cyclohexanecarboxylic acid

Guidance literature:

With pentan-1-ol; sodium; Product distribution; Heating; Different Na quantities, durations, different catalysts, as well;

Reference yield:

4’-butyl-[1,1 ‘-biphenyl]-4-carboxylic acid (59662-46-3) → 4-trans-(4-trans-butylcyclohexyl)cyclohexanecarboxylic acid (89111-63-7) + 4-cis-(4-trans-butylcyclohexyl)cyclohexanecarboxylic acid

Guidance literature:

With potassium hydroxide; Ru-carbon; Product distribution; 1.) 150 deg C, 40 atm H₂, H₂O; 2.) 5 h, 250 deg C;

Reference yield: 30.0%

4-trans-(4-trans-butylcyclohexyl)cyclohexanecarboxylic acid (89111-63-7) → trans,trans-4'-butyl<1,1'-bicyclohexyl>-4-carbonitrile (70784-10-0)

Guidance literature:

upstream raw materials:

4’-butyl-[1,1 ‘-biphenyl]-4-carboxylic acid

p-(4-trans-butylcyclohexyl)benzoic acid

Downstream raw materials:

trans,trans-4'-butyl<1,1'-bicyclohexyl>-4-carbonitrile

Refernces