2-Benzoylcyclohexane-1,3-dione

Base Information

Chemical Name:2-Benzoylcyclohexane-1,3-dione
CAS No.:69629-50-1
Molecular Formula:C13H12O3
Molecular Weight:216.236
Hs Code.:
DSSTox Substance ID:DTXSID80446083
Nikkaji Number:J1.311.489G
Wikidata:Q82264655
ChEMBL ID:CHEMBL355348
Mol file:69629-50-1.mol

Synonyms:2-benzoylcyclohexane-1,3-dione;CHEMBL355348;69629-50-1;SCHEMBL169913;2-benzoyl-1,3-cyclohexanedione;DTXSID80446083;2-Benzoyl-cyclohexane-1,3-dione;QMNFICMPAXFAPC-UHFFFAOYSA-N;BDBM50088805;AT15580

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

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

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

Chemical Property:

Boiling Point:405.16 °C at 760 mmHg
Flash Point:177.23 °C
PSA：51.21000
Density:1.225 g/cm³
LogP:1.80760
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.078644241
Heavy Atom Count:16
Complexity:297

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 11 articles about 2-Benzoylcyclohexane-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: 93.0%

: 201230-82-2
carbon monoxide

: 504-02-9
1,3-cylohexanedione

: 98-80-6
phenylboronic acid

: 69629-50-1
2-benzoyl-1,3-cyclohexanedione

Guidance literature:: 1,3-cylohexanedione; With lithium tert-butoxide; In toluene; at 20 ℃; for 1h; Autoclave;

carbon monoxide; phenylboronic acid; With palladium(II) trifluoroacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; silver(l) oxide; In toluene; at 20 - 80 ℃; under 3800.26 Torr; Time; Pressure; Catalytic behavior; Autoclave;
DOI:10.1039/c4ob00568f