2-Cyclohexen-1-one, 3-ethoxy-6,6-dimethyl-

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 3-ethoxy-6,6-dimethyl-
• CAS No.: 62952-32-3
• Molecular Formula: C10H16O2
• Molecular Weight: 168.23300
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID00450384
• Wikidata: Q82270073
• Mol file: 62952-32-3.mol

Synonyms:62952-32-3;2-Cyclohexen-1-one, 3-ethoxy-6,6-dimethyl-;DTXSID00450384

Chemical Property of 2-Cyclohexen-1-one, 3-ethoxy-6,6-dimethyl-

Chemical Property:

• PSA: 26.30000
• LogP: 2.29590
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

3-ETHOXY-6,6-DIMETHYL-2-CYCLOHEXEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=O)C(CC1)(C)C

Technology Process of 2-Cyclohexen-1-one, 3-ethoxy-6,6-dimethyl-

There total 2 articles about 2-Cyclohexen-1-one, 3-ethoxy-6,6-dimethyl- 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: 95.0%

3-ethoxy-6-methylcyclohex-2-en-1-one (62952-33-4) + methyl iodide (74-88-4) → 3-ethoxy-6,6-dimethylcyclohex-2-en-1-one (62952-32-3)

Guidance literature:

3-ethoxy-6-methylcyclohex-2-en-1-one; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

methyl iodide; In tetrahydrofuran; hexane; at -78 - 20 ℃; Further stages.;

DOI:10.1039/b307985f

Reference yield: 23.0%

ethanol (64-17-5) + 4,4-dimethylcyclohexane-1,3-dione (562-46-9) → 3-ethoxy-6,6-dimethylcyclohex-2-en-1-one (62952-32-3) + 3-ethoxy-4,4-dimethylcyclohex-2-en-1-one (501443-29-4)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 6h; Reflux;

DOI:10.1016/j.tetasy.2010.02.031

Reference yield: 99.0%

3-ethoxy-6,6-dimethylcyclohex-2-en-1-one (62952-32-3) → 6,6-Dimethyl-2-cyclohexen-1-one (6553-64-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; Cooling;

DOI:10.1016/j.tetasy.2010.02.031

upstream raw materials:

3-ethoxy-6-methylcyclohex-2-en-1-one

methyl iodide

ethanol

4,4-dimethylcyclohexane-1,3-dione

Downstream raw materials:

2-bromo-6,6-dimethyl-3-ethoxycyclohex-2-en-1-one

6,6-dimethyl-3-ethoxy-2-(1-hydroxy-3-methylbut-2-enyl)-cyclohex-2-en-1-one

4,4-dimethyl-1-ethoxy-2-(1-methoxymethoxy-3-methylbut-2-en-1-yl)-3-methylenecyclohex-1-ene

4,4-dimethyl-3-hydroxymethyl-2-(1-methoxymethoxy-3-methylbut-2-en-1-yl)-cyclohex-2-en-1-one

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