Ethanedione, dicyclohexyl-

Base Information

• Chemical Name: Ethanedione, dicyclohexyl-
• CAS No.: 951-88-2
• Molecular Formula: C14H22O2
• Molecular Weight: 222.327
• UNII: EJ699JF2AV
• ChEMBL ID: CHEMBL235287
• DSSTox Substance ID: DTXSID40473153
• Nikkaji Number: J392.308H
• Wikidata: Q82302343
• Mol file: 951-88-2.mol

Synonyms:Ethanedione, dicyclohexyl-;1,2-dicyclohexylethane-1,2-dione;951-88-2;Dicyclohexylethanedione;EJ699JF2AV;alpha,alpha-Bicyclohexyldiketone;1,2-Ethanedione, 1,2-dicyclohexyl-;UNII-EJ699JF2AV;CHEMBL235287;SCHEMBL3071715;1,2-Dione-Based Compound, 7;BDBM22850;DTXSID40473153;1,2-dicyclohexyl-1,2-ethanedione;1,2-dicyclohexyl-ethane-1,2-dione;PD179168

Chemical Property of Ethanedione, dicyclohexyl-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)C(=O)C2CCCCC2

Technology Process of Ethanedione, dicyclohexyl-

There total 26 articles about Ethanedione, dicyclohexyl- 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%

1,2-dicyclohexyl-2-hydroxy-ethanone (55409-09-1) → 1,2-dicyclohexylethanedione (951-88-2)

Guidance literature:

With oxygen; vanadium(V) oxychloride; In acetonitrile; at 20 ℃; for 20h;

DOI:10.1039/a903622i

Reference yield: 93.0%

2,3-bis(dimethylamino)-1,1,4,4-bis(pentamethylene)buta-1,3-diene (205439-79-8) → 1,2-dicyclohexylethanedione (951-88-2)

Guidance literature:

With hydrogenchloride; water; at 70 ℃; for 18h;

DOI:10.1039/a800648b

Reference yield: 82.0%

cyclohexanylcarbonyl chloride (2719-27-9) → 1,2-dicyclohexylethanedione (951-88-2)

Guidance literature:

With magnesium; In N,N-dimethyl-formamide; at 90 ℃; Inert atmosphere;

upstream raw materials:

1,2-dicyclohexyl-2-hydroxy-ethanone

ethyl cyclohexanecarboxylate

1,2-di(1-hydroxycyclohexyl)acetylene

2-acetoxy-1-cyclohexyl-2-cyclohexyliden-ethanone

Downstream raw materials:

cyclohexanecarbaldehyde

4,5-dicyclohexyl-2-methyl-1H-imidazole

1,2-dicyclohexyl-2-hydroxy-ethanone

<1,2-Dicyclohexyl-1,2-ethendiyl>-dibenzoat