1-(Diethoxymethyl)cyclohex-1-ene

Base Information

• Chemical Name: 1-(Diethoxymethyl)cyclohex-1-ene
• CAS No.: 52428-45-2
• Molecular Formula: C11H20O2
• Molecular Weight: 184.279
• DSSTox Substance ID: DTXSID70501837
• Nikkaji Number: J1.992.074G
• Wikidata: Q82354478
• Mol file: 52428-45-2.mol

Synonyms:1-(Diethoxymethyl)cyclohex-1-ene;52428-45-2;Cyclohexene, 1-(diethoxymethyl)-;1-(diethoxymethyl)cyclohexene;SCHEMBL7170866;DTXSID70501837;AKOS030591236;F2167-7147

Chemical Property of 1-(Diethoxymethyl)cyclohex-1-ene

Chemical Property:

• PSA: 18.46000
• LogP: 2.88590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C1=CCCCC1)OCC

Technology Process of 1-(Diethoxymethyl)cyclohex-1-ene

There total 4 articles about 1-(Diethoxymethyl)cyclohex-1-ene 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: 60.0%

1-cyclohexene-1-carboxaldehyde (1192-88-7) + orthoformic acid triethyl ester (122-51-0) → 1-formylcyclohexene diethyl acetal (52428-45-2)

Guidance literature:

With TSOH; silica gel; In ethanol;

Reference yield:

orthoformic acid triethyl ester (122-51-0) → 1-formylcyclohexene diethyl acetal (52428-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / HCl gas, TsOH / ethanol / 70 Torr

2: 1.) Mg / 1.) ether, 2.) ether, RT

With hydrogenchloride; toluene-4-sulfonic acid; magnesium; In ethanol;

Reference yield:

1-bromocyclohex-1-ene (2044-08-8) + diethyl phenyl orthoformate (14444-77-0) → 1-formylcyclohexene diethyl acetal (52428-45-2)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) ether, 2.) ether, RT;

upstream raw materials:

1-bromocyclohex-1-ene

diethyl phenyl orthoformate

1-cyclohexene-1-carboxaldehyde

orthoformic acid triethyl ester