5-(2-Chlorophenyl)cyclohexane-1,3-dione

Base Information

Chemical Name:5-(2-Chlorophenyl)cyclohexane-1,3-dione
CAS No.:55579-68-5
Molecular Formula:C12H11ClO2
Molecular Weight:222.671
Hs Code.:2914700090
DSSTox Substance ID:DTXSID50358048
Wikidata:Q82138316
ChEMBL ID:CHEMBL1581755
Mol file:55579-68-5.mol

Synonyms:5-(2-chlorophenyl)cyclohexane-1,3-dione;55579-68-5;1,3-cyclohexanedione, 5-(2-chlorophenyl)-;MLS000110856;SCHEMBL6797464;CHEMBL1581755;DTXSID50358048;BPFBAVBCEHCMFU-UHFFFAOYSA-N;HMS2375M18;MFCD02067868;STK392614;AKOS000265407;5-(2-chlorophenyl)-1,3-cyclohexanedione;AS-42073;SMR000106785;1,3-dioxo-5-(o-chlorophenyl)-cyclohexane;5-(2-chlorophenyl)-cyclohexane-1,3-dione;BB 0256717;CS-0212857;FT-0679268;A870158;SR-01000229849;SR-01000229849-1

Suppliers and Price of 5-(2-Chlorophenyl)cyclohexane-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

TRC
5-(2-Chlorophenyl)cyclohexane-1,3-dione
50mg
$ 45.00

SynQuest Laboratories
5-(2-Chlorophenyl)cyclohexane-1,3-dione
1 g
$ 256.00

Matrix Scientific
5-(2-Chlorophenyl)cyclohexane-1,3-dione
5g
$ 1103.00

Matrix Scientific
5-(2-Chlorophenyl)cyclohexane-1,3-dione
500mg
$ 205.00

Matrix Scientific
5-(2-Chlorophenyl)cyclohexane-1,3-dione
1g
$ 315.00

Crysdot
5-(2-Chlorophenyl)cyclohexane-1,3-dione 95+%
1g
$ 316.00

Chemenu
5-(2-chlorophenyl)cyclohexane-1,3-dione 95%
1g
$ 296.00

Biosynth Carbosynth
5-(2-Chlorophenyl)cyclohexane-1,3-dione
5 g
$ 700.00

Biosynth Carbosynth
5-(2-Chlorophenyl)cyclohexane-1,3-dione
2 g
$ 350.00

Biosynth Carbosynth
5-(2-Chlorophenyl)cyclohexane-1,3-dione
1 g
$ 200.00

Total 17 raw suppliers

Chemical Property of 5-(2-Chlorophenyl)cyclohexane-1,3-dione

Chemical Property:

Vapor Pressure:1.35E-05mmHg at 25°C
Refractive Index:1.565
Boiling Point:367.6°C at 760 mmHg
Flash Point:155.4°C
PSA：34.14000
Density:1.268g/cm³
LogP:2.74570
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.0447573
Heavy Atom Count:15
Complexity:259

Purity/Quality:

99%, ^*data from raw suppliers

5-(2-Chlorophenyl)cyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(CC(=O)CC1=O)C2=CC=CC=C2Cl

Technology Process of 5-(2-Chlorophenyl)cyclohexane-1,3-dione

There total 9 articles about 5-(2-Chlorophenyl)cyclohexane-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: 46.0%

: 24393-51-9,33877-03-1
ethyl 3-(2-chlorophenyl)acrylate

: 67-64-1
acetone

: 55579-68-5
5-(2-chlorophenyl)-1,3-cyclohexanedione

Guidance literature:: With sodium hydride; at -10 - 20 ℃; for 1.66667h; regioselective reaction; Inert atmosphere; neat (no solvent);
DOI:10.1055/s-0031-1290900

Reference yield: 35.0%

: 91574-67-3,91574-68-4,20766-37-4
2-chlorobenzalacetone

: 105-53-3
diethyl malonate

: 55579-68-5
5-(2-chlorophenyl)-1,3-cyclohexanedione

Guidance literature:: 2-chlorobenzalacetone; diethyl malonate; With sodium ethanolate; In ethanol; at 20 ℃; for 12h;

With sodium hydroxide; In ethanol; water; at 20 ℃; for 12h;

Reference yield:

: 6-(2-chlorophenyl)-2-hydroxy-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester monosodium salt

: 55579-68-5
5-(2-chlorophenyl)-1,3-cyclohexanedione

Guidance literature:: Multi-step reaction with 2 steps

1: 2 N NaOH / 2 h / Heating

2: 5 N H₂SO₄ / 4.5 h / Heating

With sodium hydroxide; sulfuric acid;
DOI:10.1021/jm00097a001