1,4-Dicyclohexylbutane

Base Information

• Chemical Name: 1,4-Dicyclohexylbutane
• CAS No.: 6165-44-2
• Molecular Formula: C16H30
• Molecular Weight: 222.4094
• DSSTox Substance ID: DTXSID4074722
• Nikkaji Number: J110.639B
• Wikidata: Q82002961
• Mol file: 6165-44-2.mol

Synonyms:1,4-DICYCLOHEXYLBUTANE;Cyclohexane, 1,1'-(1,4-butanediyl)bis-;Butane, 1,4-dicyclohexyl-;6165-44-2;DTXSID4074722;(4-Cyclohexylbutyl)cyclohexane #;UWSSRUCETFDRMI-UHFFFAOYSA-N

Chemical Property of 1,4-Dicyclohexylbutane

Chemical Property:

• Boiling Point: 307.3°Cat760mmHg
• Flash Point: 128.9°C
• Density: 0.857g/cm³
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 222.234750957
• Heavy Atom Count: 16
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCCCC2CCCCC2

Technology Process of 1,4-Dicyclohexylbutane

There total 16 articles about 1,4-Dicyclohexylbutane 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: 50.2%

phenacylacetophenone (495-71-6) → 1,4-diphenylbutane (1083-56-3) + 1,4-dicyclohexyl-butane (6165-44-2) + 1-cyclohexyl-4-phenylbutane (6199-25-3)

Guidance literature:

With Raney Ni-Al alloy; water; potassium hydroxide; at 90 ℃; for 8h;

DOI:10.3184/030823409X12506792542783

Reference yield:

1,4-diphenylbutane (1083-56-3) → 1,4-dicyclohexyl-butane (6165-44-2)

Guidance literature:

With nickel; methyl cyclohexane; at 170 - 200 ℃; under 84583.4 Torr; Hydrogenation;

DOI:10.1021/ja01122a022

Reference yield:

2-phenylethylstyrene (14213-84-4,27066-35-9,70388-65-7) → 1,4-dicyclohexyl-butane (6165-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: copper oxide-chromium oxide; ethanol / 110 °C / 88260.9 Torr / Hydrogenation

2: nickel; methylcyclohexane / 170 - 200 °C / 84583.4 Torr / Hydrogenation

With ethanol; copper oxide-chromium oxide; nickel; methyl cyclohexane;

DOI:10.1021/ja01122a022

upstream raw materials:

1,4-diphenylbutane

trans,trans-1,4-Diphenyl-1,3-butadiene

1,4-diphenyl-1,4-butanediol

1,4-tris(1-acetoxy-1-cyclohexyl)-1,3-butadiyne

Refernces

• 1、 Liu, Guo-Bin,Zhao, Hong-Yun,Dai, Lu,Thiemann, Thies,Tashiro, Hideki,Tashiro, Masashi. "Raney Ni-Al alloy-mediated reduction of benzils in wate". experimental part. p. 579 - 581. Retrieved 2010/02/28.