1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one

Base Information

Chemical Name:1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one
CAS No.:39868-14-9
Molecular Formula:C13H18O3
Molecular Weight:222.28000
Hs Code.:
DSSTox Substance ID:DTXSID80503660
Wikidata:Q82357650

Synonyms:1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one;39868-14-9;SCHEMBL17479951;DTXSID80503660;1-(2,5-dimethoxyphenyl)-2,2-dimethyl-1-propanone;1-(2,5-Dimethoxy-phenyl)-2,2-dimethyl-propan-1-one

Suppliers and Price of 1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one

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 1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one

Chemical Property:

Melting Point:46.5–48.5°C
PSA：35.53000
LogP:2.93260
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:222.125594432
Heavy Atom Count:16
Complexity:242

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(=O)C1=C(C=CC(=C1)OC)OC

Technology Process of 1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one

There total 4 articles about 1-(2,5-Dimethoxyphenyl)-2,2-dimethylpropan-1-one 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: 41.0%

: 3282-30-2
pivaloyl chloride

: 150-78-7
1,4-dimethoxybezene

: 39868-14-9
2,5-Dimethoxyphenyl tert-butyl ketone

Guidance literature:: With bismuth(lll) trifluoromethanesulfonate; for 0.0833333h; Ionic liquid; Microwave irradiation;
DOI:10.1016/j.tetlet.2011.11.022

Reference yield:

: 107099-99-0
2,5-dimethoxyphenylboronic acid

: 3282-30-2
pivaloyl chloride

: 39868-14-9
2,5-Dimethoxyphenyl tert-butyl ketone

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In toluene; at 100 ℃;
DOI:10.1016/j.bmcl.2012.04.064

Reference yield:

: 150-78-7
1,4-dimethoxybezene

: 39868-14-9
2,5-Dimethoxyphenyl tert-butyl ketone

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / polyphosphoric acid / 4.5 h / 60 - 70 °C

2: 1.) potassium hydride / 1.) tetrahydrofurane, room temp.; 2.) tetrahydrofurane, 10 min (N₂), 30 min (air)

With PPA; potassium hydride;
DOI:10.1039/P29800000860