2-Phenylcyclohexane-1,3-dione

Base Information

Chemical Name:2-Phenylcyclohexane-1,3-dione
CAS No.:56964-05-7
Molecular Formula:C12H12O2
Molecular Weight:188.226
Hs Code.:
ChEMBL ID:CHEMBL24134
DSSTox Substance ID:DTXSID90502402
Nikkaji Number:J2.495.037I
Wikidata:Q82355387

Synonyms:2-phenylcyclohexane-1,3-dione;56964-05-7;CHEMBL24134;SCHEMBL7213386;DTXSID90502402;BMLKSMGUVMXKQS-UHFFFAOYSA-N

Suppliers and Price of 2-Phenylcyclohexane-1,3-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 2-Phenylcyclohexane-1,3-dione

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:188.083729621
Heavy Atom Count:14
Complexity:223

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C(C(=O)C1)C2=CC=CC=C2

Technology Process of 2-Phenylcyclohexane-1,3-dione

There total 4 articles about 2-Phenylcyclohexane-1,3-dione 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: 98.0%

: 591-50-4
iodobenzene

: 504-02-9
1,3-cylohexanedione

: 56964-05-7
2-phenylcyclohexane-1,3-dione

Guidance literature:: With copper(l) iodide; potassium carbonate; L-proline; at 90 ℃; for 48h;
DOI:10.1055/s-0029-1218604

Reference yield: 90.0%

: 108-86-1,52753-63-6
bromobenzene

: 504-02-9
1,3-cylohexanedione

: 56964-05-7
2-phenylcyclohexane-1,3-dione

Guidance literature:: With potassium phosphate; palladium diacetate; di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine; In 1,4-dioxane; tert-Amyl alcohol; Inert atmosphere; Reflux;
DOI:10.1021/acs.jmedchem.8b00305