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

Base Information

Chemical Name:5-(2-Methoxyphenyl)cyclohexane-1,3-dione
CAS No.:55579-77-6
Molecular Formula:C13H14O3
Molecular Weight:218.252
Hs Code.:2914509090
European Community (EC) Number:809-466-7
DSSTox Substance ID:DTXSID90589293
Wikidata:Q82482568
Mol file:55579-77-6.mol

Synonyms:5-(2-methoxyphenyl)cyclohexane-1,3-dione;55579-77-6;5-(2-Methoxyphenyl)-1,3-cyclohexanedione;5-(2-Methoxy-phenyl)-cyclohexane-1,3-dione;SCHEMBL643845;DTXSID90589293;KDFGJXOGEXWKQI-UHFFFAOYSA-N;MFCD03844402;STK415800;AKOS000265776;MCULE-3887849781;DA-18494;LS-02481;A870154;5-(2-Methoxyphenyl)cyclohexane-1,3-dione, AldrichCPR

Suppliers and Price of 5-(2-Methoxyphenyl)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-Methoxyphenyl)cyclohexane-1,3-dione
500mg
$ 220.00

Sigma-Aldrich
5-(2-Methoxyphenyl)cyclohexane-1,3-dione Aldrich
1g
$ 315.00

Matrix Scientific
5-(2-Methoxyphenyl)cyclohexane-1,3-dione
500mg
$ 189.00

Crysdot
5-(2-Methoxyphenyl)cyclohexane-1,3-dione 95+%
1g
$ 323.00

Chemenu
5-(2-Methoxyphenyl)cyclohexane-1,3-dione 95%
1g
$ 305.00

ChemBridge Corporation
5-(2-methoxyphenyl)cyclohexane-1,3-dione 95%
1 g
$ 98.00

Atlantic Research Chemicals
5-(2-Methoxyphenyl)cyclohexane-1,3-dione 95%
1gm:
$ 116.64

American Custom Chemicals Corporation
5-(2-METHOXYPHENYL)CYCLOHEXANE-1,3-DIONE 95.00%
5MG
$ 496.18

AK Scientific
5-(2-Methoxy-phenyl)-cyclohexane-1,3-dione
500mg
$ 305.00

Total 18 raw suppliers

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

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.542
Boiling Point:380.01°C at 760 mmHg
Flash Point:170.216°C
PSA：43.37000
Density:1.163g/cm³
LogP:2.10090
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:218.094294304
Heavy Atom Count:16
Complexity:269

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC=C1C2CC(=O)CC(=O)C2

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

There total 11 articles about 5-(2-Methoxyphenyl)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: 50.0%

: 60438-50-8,10542-87-7
2-methoxybenzalacetone

: 105-53-3
diethyl malonate

: 55579-77-6
5-(2-Methoxyphenyl)-1,3-cyclohexanedione

Guidance literature:: 2-methoxybenzalacetone; diethyl malonate; With ethanol; sodium ethanolate; at 20 ℃; Inert atmosphere; Reflux;

With water; sodium hydroxide; In ethanol; at 80 ℃; for 1.5h;

With hydrogenchloride; In water; for 1h; Reflux;

Reference yield:

: 60438-50-8,10542-87-7
2-methoxybenzalacetone

: 55579-77-6
5-(2-Methoxyphenyl)-1,3-cyclohexanedione

Guidance literature:: Multi-step reaction with 3 steps

1: EtONa / ethanol / 6 h / Heating

2: 2 N NaOH / 2 h / Heating

3: 5 N H₂SO₄ / 4.5 h / Heating

With sodium hydroxide; sulfuric acid; sodium ethanolate; In ethanol;
DOI:10.1021/jm00097a001

Reference yield:

: 135-02-4
ortho-anisaldehyde

: 55579-77-6
5-(2-Methoxyphenyl)-1,3-cyclohexanedione

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / 50percent aq. NaOH / 72 h / Ambient temperature

2: EtONa / ethanol / 6 h / Heating

3: 2 N NaOH / 2 h / Heating

4: 5 N H₂SO₄ / 4.5 h / Heating

With sodium hydroxide; sulfuric acid; sodium ethanolate; In ethanol;
DOI:10.1021/jm00097a001