1,1-Diethylcyclohexane

Base Information

• Chemical Name: 1,1-Diethylcyclohexane
• CAS No.: 78-01-3
• Molecular Formula: C10H20
• Molecular Weight: 140.269
• DSSTox Substance ID: DTXSID90999252
• Wikidata: Q82992154
• Mol file: 78-01-3.mol

Synonyms:1,1-Diethylcyclohexane;78-01-3;Cyclohexane, 1,1-diethyl-;DTXSID90999252;GCYUJISWSVALJD-UHFFFAOYSA-N

Chemical Property of 1,1-Diethylcyclohexane

Chemical Property:

• Vapor Pressure: 2.037mmHg at 25°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 140.156500638
• Heavy Atom Count: 10
• Complexity: 82.2

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CCCCC1)CC

Technology Process of 1,1-Diethylcyclohexane

There total 11 articles about 1,1-Diethylcyclohexane 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: 41.0%

1-ethyl-1-chloro-cyclohexane (1445-98-3) + diethylzinc (557-20-0) → 2,2-diethylcyclohexane (78-01-3)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at -50 - -20 ℃;

DOI:10.1039/c39800001202

Reference yield:

trans-1,2-dibromocyclohexane (7429-37-0) + diethylzinc (557-20-0) → 2,2-diethylcyclohexane (78-01-3) + 1,2-diethylcyclohexane (3642-13-5,824-43-1,13990-95-9) + cyclohexa-1,3-diene (1165952-91-9) + cyclohexene (110-83-8)

Guidance literature:

at 60 - 90 ℃;

Reference yield:

cis-decalin (493-01-6) → 2,2-diethylcyclohexane (78-01-3) + 1-methyl-1-propylcyclohexane (4258-93-9) + butylcyclohexane (1678-93-9) + cis-1-methyl-2-propylcyclohexane + trans-1-methyl-2-propylcyclohexane + cis-1,2-diethylcyclohexane + trans-1,2-diethylcyclohexane

Guidance literature:

With hydrogen; at 207 ℃; under 39003.9 Torr; Reagent/catalyst; Temperature; Catalytic behavior; Flow reactor;

DOI:10.1016/j.apcata.2013.01.020

upstream raw materials:

1,2-dibromocyclohexane

diethylzinc

1-ethyl-1-chloro-cyclohexane

1-ethyl-1-(2-bromo-ethyl)-cyclohexane

Downstream raw materials:

naphthalene

ethylbenzene

ortho-diethylbenzene

toluene