Cyclohexanone, 2,2-dimethoxy-

Base Information

• Chemical Name: Cyclohexanone, 2,2-dimethoxy-
• CAS No.: 38461-13-1
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• DSSTox Substance ID: DTXSID80452043
• Nikkaji Number: J2.132.249K
• Wikidata: Q82272398
• Mol file: 38461-13-1.mol

Synonyms:2,2-dimethoxycyclohexan-1-one;38461-13-1;Cyclohexanone, 2,2-dimethoxy-;2,2-dimethoxycyclohexanone;SCHEMBL3676099;DTXSID80452043;E73036;EN300-311751

Chemical Property of Cyclohexanone, 2,2-dimethoxy-

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1(CCCCC1=O)OC

Technology Process of Cyclohexanone, 2,2-dimethoxy-

There total 12 articles about Cyclohexanone, 2,2-dimethoxy- 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: 99.0%

2,2-dimethoxycyclohexanol (63703-34-4,415679-41-3) → 2,2-dimethoxycyclohexanone (38461-13-1)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 - 20 ℃; for 0.333333h;

DOI:10.1002/adsc.201000466

Reference yield: 88.5%

2,2-dimethoxycyclohexanol (63703-34-4,415679-41-3) → 2,2-dimethoxycyclohexanone (38461-13-1) + cyclohexane-1,2-dione (765-87-7)

Guidance literature:

With silver;

Reference yield: 82.0%

methanol (67-56-1) + cyclohexane-1,2-dione (765-87-7) → 2,2-dimethoxycyclohexanone (38461-13-1)

Guidance literature:

With trimethyl orthoformate; at 80 ℃; for 19h; under 6000480 Torr;

DOI:10.1055/s-2005-872229

upstream raw materials:

2,2-dimethoxycyclohexanol

methanol

cyclohexane-1,2-dione

trimethyl orthoformate

Downstream raw materials:

dimethoxy-2,2 ethylidenecyclohexane

dimethoxy-2,2 methylenecyclohexane

[2,2-Dimethoxy-cyclohex-(E)-ylidenemethylsulfanyl]-benzene

cyclopropylidene-2 dimethoxy-1,1 cyclohexane