Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-

Base Information

• Chemical Name: Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
• CAS No.: 57466-12-3
• Molecular Formula: C11H20O
• Molecular Weight: 168.279
• DSSTox Substance ID: DTXSID20450386
• Nikkaji Number: J2.067.624H
• Mol file: 57466-12-3.mol

Synonyms:57466-12-3;Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-;SCHEMBL9191280;DTXSID20450386;1-Methoxy-4-tert-butylcyclohexene

Chemical Property of Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-

There total 5 articles about Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy- 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: 38.0%

methanol (67-56-1) + 4-tercbutyl-cyclohexanone (98-53-3) → 4-(1,1-dimethylethyl)-cyclohexanol (98-52-2) + 4-tert-butyl-1,1-dimethoxy-cyclohexane (944-19-4) + 4-tert-butyl-1-methoxycyclohexene (57466-12-3)

Guidance literature:

With hydrogen; [Rh(I)(cycloocta-1,5-diene)(butane-1,4-diylbis[diphenylphosphine])]ClO₄; at 25 ℃; for 14h; under 760 Torr;

DOI:10.1246/cl.1982.261

Reference yield:

methanol (67-56-1) + 4-tert-butyl-1-cyclohexenyl(phenyl)(tetrafluoroborato)-λ3-iodane → 4-tert-butyl-1-methoxycyclohexene (57466-12-3)

Guidance literature:

With sodium methylate; at 60 ℃; for 1h;

DOI:10.1021/ja0496672

Reference yield:

4-tercbutyl-cyclohexanone (98-53-3) + trimethyl orthoformate (149-73-5) → 4-tert-butyl-1-methoxycyclohexene (57466-12-3)

Guidance literature:

With toluene-4-sulfonic acid; for 24h; Ambient temperature;

upstream raw materials:

4-tert-butyl-1,1-dimethoxy-cyclohexane

methanol

4-tercbutyl-cyclohexanone

trimethyl orthoformate

Downstream raw materials:

2,2-dimethoxy-5-tert-butylcyclohexanone oxime

1,1,2-trimethoxy-4-tert-butylcyclohexane

1-phenyl-4-tert-butylcyclohexene

2-hydroxy-4-t-butylcyclohexanone