Cyclohexane, 1-(1,1-dimethylethyl)-4-ethylidene-

Base Information

• Chemical Name: Cyclohexane, 1-(1,1-dimethylethyl)-4-ethylidene-
• CAS No.: 14033-64-8
• Molecular Formula: C12H22
• Molecular Weight: 166.307
• DSSTox Substance ID: DTXSID50456513
• Nikkaji Number: J415.974H

Synonyms:14033-64-8;Cyclohexane, 1-(1,1-dimethylethyl)-4-ethylidene-;1-tert-butyl-4-ethylidenecyclohexane;1-tert-butyl-4-ethylidene-cyclohexane;DTXSID50456513;4-tert-Butyl-1-ethylidenecyclohexane;AKOS015907335

Chemical Property of Cyclohexane, 1-(1,1-dimethylethyl)-4-ethylidene-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 166.172150702
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CCC(CC1)C(C)(C)C

Technology Process of Cyclohexane, 1-(1,1-dimethylethyl)-4-ethylidene-

There total 18 articles about Cyclohexane, 1-(1,1-dimethylethyl)-4-ethylidene- 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: 71.0%

1,1-Dibromoethane (557-91-5) + 4-tercbutyl-cyclohexanone (98-53-3) → 4-tert-butyl-1-ethylidene-cyclohexane (14033-64-8,91633-74-8,91633-75-9)

Guidance literature:

With chromium chloride; samarium; samarium diiodide; In tetrahydrofuran; for 0.5h; Product distribution; Mechanism; Ambient temperature; also without Sm, and/or CrCl₃; other ketones, other gem-dihaloalkanes;

DOI:10.1246/cl.1995.259

Reference yield: 70.0%

dimethyl zinc(II) (544-97-8) + C18H27NOS (104173-06-0,104264-24-6,114389-13-8,114488-29-8,119006-97-2,140461-75-2,140461-76-3) → 1-tert-Butyl-4-ethylidene-cyclohexane (14033-64-8) + tert-butyl(((E)-5-((3aS,4S,5R,6aS)-5-((tert-butyldimethylsilyl)oxy)-4-(((tert-butyldimethylsilyl)oxy)methyl)hexahydropentalen-2(1H)-ylidene)pentyl)oxy)diphenylsilane (118892-44-7)

Guidance literature:

With magnesium bromide; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II);

DOI:10.1021/ja00185a051

Reference yield:

<1-(4-tert.-Butyl-1-hydroxy-cyclohexyl-)-aethan>-phosphonsaeure-bis- → 4-tert-butyl-1-ethylidene-cyclohexane (14033-64-8,91633-74-8,91633-75-9)

Guidance literature:

In benzene; Heating;

DOI:10.1021/ja01026a045

upstream raw materials:

O,O-dimethyl ethylphosphonothionate

4-tercbutyl-cyclohexanone

P-ethyl-N,N-dimethyl-P-phenylphosphinothioic amide

1,3,2-diazaphospholidine 2-ethyl-1,3-dimethyl 2-oxide

Downstream raw materials:

trans-1-Ethyl-4-tert.-butyl-cyclohexan

cis-1-Ethyl-4-tert-butyl-cyclohexan

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