trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol

Base Information

• Chemical Name: trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol
• CAS No.: 82575-70-0
• Molecular Formula: C17H32O
• Molecular Weight: 252.44
• European Community (EC) Number: 617-361-0
• DSSTox Substance ID: DTXSID50389559
• Nikkaji Number: J2.538.218H
• Mol file: 82575-70-0.mol

Synonyms:82575-70-0;TRANS-4-(TRANS-4-PENTYLCYCLOHEXYL)CYCLOHEXANOL;(trans,trans)-4'-Pentyl-[1,1'-bi(cyclohexan)]-4-ol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;4'-Pentyl-bicyclohexyl-4-ol;SCHEMBL4657593;SCHEMBL4657594;SCHEMBL8913222;SCHEMBL8913228;SCHEMBL15113046;SCHEMBL15725351;DTXSID50389559;LGORKSSOIBSSJH-GARHLSDISA-N;LGORKSSOIBSSJH-UHFFFAOYSA-N;4-(4-pentylcyclohexyl) cyclohexanol;MFCD09752070;4'-Pentyl-1,1'-bicyclohexane-4-ol;AKOS000508279;AKOS015839694;AKOS016003821;AKOS024438126;SB66596;DS-13542;CS-0152362;FT-0689060;P2690;N10550;trans-4-(trans-4'-pentylcyclohexyl)cyclohexanol

Chemical Property of trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol

Chemical Property:

• Melting Point: 126 °C
• Refractive Index: 1.489
• Boiling Point: 342.6±10.0 °C(Predicted)
• PKA: 15.29±0.40(Predicted)
• PSA: 20.23000
• Density: 0.932±0.06 g/cm3(Predicted)
• LogP: 4.92420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 252.245315640
• Heavy Atom Count: 18
• Complexity: 210

Purity/Quality:

99%, ^*data from raw suppliers

trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)O
• Uses: Intermediates of Liquid Crystals

Technology Process of trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol

There total 2 articles about trans-4-(trans-4-Pentylcyclohexyl)cyclohexanol 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: 98.3%

4-(trans-4-n-pentylcyclohexyl)phenol (82575-69-7) → trans-4-cyclohexanol (82575-70-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In 1,4-dioxane; at 100 ℃; for 6h; under 15001.5 Torr;

Reference yield:

all-trans-4-propylcyclohexanecarboxylic acid 4-(4'-pentyl-1,1'-bicyclohexyl) ester → all-trans-4-[[(4-propylcyclohexyl)methyl]oxy]-4'-pentyl-1,1'-bicyclohexane + trans-4-propyl-1-(hydroxymethyl)cyclohexane (71458-06-5) + trans-4-cyclohexanol (82575-70-0)

Guidance literature:

all-trans-4-propylcyclohexanecarboxylic acid 4-(4'-pentyl-1,1'-bicyclohexyl) ester; With boron trifluoride-tetrahydrofuran complex; In tetrahydrofuran; at 15 - 25 ℃;

With sodium tetrahydroborate; In tetrahydrofuran; diethylene glycol dimethyl ether; at 20 ℃; for 4h;

With sodium hydroxide; In tetrahydrofuran; diethylene glycol dimethyl ether; water;

Reference yield: 98.6%

trans-4-cyclohexanol (82575-70-0) → 4-(trans-4-n-pentylcyclohexyl)cyclohexanone (84868-02-0,87625-10-3)

Guidance literature:

With potassium hypochlorite; 4-oxo-2,2,6,6-tetramethylpiperidin-oxyl; In chlorobenzene; at 0 - 20 ℃; for 1h;

upstream raw materials:

4-(trans-4-n-pentylcyclohexyl)phenol

Downstream raw materials:

trans-4-propyl-1-(hydroxymethyl)cyclohexane

4-(trans-4-n-pentylcyclohexyl)cyclohexanone

Refernces

• 1、 -. "Process for the preparation of liquid crystalline ethers". Page/Page column 9-11. . Retrieved 2010/02/11.