1beta,2alpha-Diethylcyclohexane

Base Information

• Chemical Name: 1beta,2alpha-Diethylcyclohexane
• CAS No.: 13990-95-9
• Molecular Formula: C₁₀H₂₀
• Molecular Weight: 140.269
• DSSTox Substance ID: DTXSID201025712
• Nikkaji Number: J1.087.026G
• Mol file: 13990-95-9.mol

Synonyms:trans-1,2-Diethylcyclohexane;1beta,2alpha-Diethylcyclohexane;DTXSID201025712;13990-95-9

Chemical Property of 1beta,2alpha-Diethylcyclohexane

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 140.156500638
• Heavy Atom Count: 10
• Complexity: 74

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1CCCCC1CC
• Isomeric SMILES: CC[C@@H]1CCCC[C@H]1CC

Technology Process of 1beta,2alpha-Diethylcyclohexane

There total 23 articles about 1beta,2alpha-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: 63.0%

ortho-diethylbenzene (253185-02-3,135-01-3) → cis-1,2-diethylcyclohexane (824-43-1) + trans-N,N'-dimethyl-1,2-cyclohexanediamine (824-43-1,3642-13-5,13990-95-9)

Guidance literature:

With hydrogen; platinum; In acetic acid; for 10h; under 2250.2 Torr; Product distribution;

Reference yield: 36.0%

dispiro<2.0.2.4.>dec-8-ene (24029-73-0) → cis-1,2-diethylcyclohexane (824-43-1) + ortho-diethylbenzene (253185-02-3,135-01-3) + Dispiro<2.0.2.4>decan (24029-74-1) + 1,2-Diethyl-1-cyclohexen (103394-01-0) + trans-N,N'-dimethyl-1,2-cyclohexanediamine (824-43-1,3642-13-5,13990-95-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; Product distribution; Mechanism; Ambient temperature;

Reference yield:

decalin (91-17-8) → 1-phenyl-2-methylpropane (538-93-2) + 1,1,3,5-tetramethylcyclohexane (4306-65-4) + 1,2-diethylcyclohexane (3642-13-5,824-43-1,13990-95-9) + 1-methyl-2-propyl-cyclohexane (4291-79-6,4926-71-0,42806-77-9,130365-42-3,130365-43-4,130365-46-7,130365-47-8,130365-50-3,130365-51-4)

Guidance literature:

With 1.0%Pt-1.0%Ir/TiO2; hydrogen; at 350 ℃; for 6h; under 22502.3 Torr; Reagent/catalyst; Temperature; Catalytic behavior; Autoclave;

DOI:10.1016/j.apcata.2012.12.015

upstream raw materials:

1,2-dibromocyclohexane

diethylzinc

ortho-diethylbenzene

1,2-diethyl-cyclohexanol