5-Mesityl-1,3-cyclohexanedione

Base Information

Chemical Name:5-Mesityl-1,3-cyclohexanedione
CAS No.:88311-79-9
Molecular Formula:C15H18 O2
Molecular Weight:230.307
Hs Code.:2914399090
DSSTox Substance ID:DTXSID60355164
Wikidata:Q82133865
ChEMBL ID:CHEMBL1938996
Mol file:88311-79-9.mol

Synonyms:88311-79-9;5-MESITYL-1,3-CYCLOHEXANEDIONE;5-Mesitylcyclohexane-1,3-dione;5-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione;2-Iodophenylmethylthioaceticacid;SCHEMBL5330951;CHEMBL1938996;DTXSID60355164;RGCPDRWZRFMXHQ-UHFFFAOYSA-N;AKOS017269090;SR-01000312034;5-(2,4,6-Trimethyl-phenyl)-cyclohexane-1,3-dione;5-(2,4,6-trimethylphenyl)-cyclohexane-1,3-dione;SR-01000312034-1

Suppliers and Price of 5-Mesityl-1,3-cyclohexanedione

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

American Custom Chemicals Corporation
5-MESITYL-1,3-CYCLOHEXANEDIONE 95.00%
5MG
$ 505.89

Total 7 raw suppliers

Chemical Property of 5-Mesityl-1,3-cyclohexanedione

Chemical Property:

PSA：34.14000
LogP:3.01750
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:230.130679813
Heavy Atom Count:17
Complexity:293

Purity/Quality:

98% ^*data from raw suppliers

5-MESITYL-1,3-CYCLOHEXANEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)C2CC(=O)CC(=O)C2)C

Technology Process of 5-Mesityl-1,3-cyclohexanedione

There total 3 articles about 5-Mesityl-1,3-cyclohexanedione 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:

: 53389-56-3
1-(2,4,6-trimethylphenyl)-1-buten-3-one

: 105-53-3
diethyl malonate

: 88311-79-9
5-(2,4,6-trimethyl-phenyl)-cyclohexane-1,3-dione

Guidance literature:: C₁₃H₁₆O; diethyl malonate; With sodium ethanolate; In ethanol; for 12h;

With sodium hydroxide; In ethanol; water; for 12h;

With hydrogenchloride; In diethyl ether; water;
DOI:10.1016/j.bmc.2011.11.039

Reference yield:

: 487-68-3
mesytaldehyde

: 88311-79-9
5-(2,4,6-trimethyl-phenyl)-cyclohexane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 12 h / 20 °C

2.1: sodium ethanolate / ethanol / 12 h

2.2: 12 h

With sodium ethanolate; In tetrahydrofuran; ethanol;
DOI:10.1016/j.bmc.2011.11.039