1-(4-Methoxyphenyl)hexane-1,4-dione

Base Information

Chemical Name:1-(4-Methoxyphenyl)hexane-1,4-dione
CAS No.:62596-41-2
Molecular Formula:C13H16O3
Molecular Weight:220.268
Hs Code.:
DSSTox Substance ID:DTXSID80490768
Nikkaji Number:J2.902.712I
Wikidata:Q82334755

Synonyms:1-(4-Methoxyphenyl)hexane-1,4-dione;62596-41-2;SCHEMBL6284359;DTXSID80490768

Suppliers and Price of 1-(4-Methoxyphenyl)hexane-1,4-dione

Supply Marketing:

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

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Chemical Property of 1-(4-Methoxyphenyl)hexane-1,4-dione

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:220.109944368
Heavy Atom Count:16
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methoxyphenyl)hexane-1,4-dione

There total 4 articles about 1-(4-Methoxyphenyl)hexane-1,4-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: 67.0%

: 1629-58-9
4-penten-3-one

: 201230-82-2
carbon monoxide

: 696-62-8
para-iodoanisole

: 62596-41-2
1-(4-methoxyphenyl)hexane-1,4-dione

: 105-13-5
4-Methoxybenzyl alcohol

Guidance literature:: With 2,2'-azobis(isobutyronitrile); (1,3-dimethylimidazol-2-ylidene)borane; In acetonitrile; at 80 ℃; for 4h; under 60804.1 Torr; chemoselective reaction; Autoclave;
DOI:10.1021/ol4006294

Reference yield: 35.2%

: 1629-58-9
4-penten-3-one

: 54016-70-5
3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide

: 123-11-5
4-methoxy-benzaldehyde

: 62596-41-2
1-(4-methoxyphenyl)hexane-1,4-dione

Guidance literature:: With triethylamine; In ethanol;

Reference yield:

: 100-66-3
methoxybenzene

: 62596-41-2
1-(4-methoxyphenyl)hexane-1,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: (i) AlCl₃, 1,2-dichloro-ethane, (ii) Et₃N, dioxane

2: Et₃N, 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride / dioxane

With 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; triethylamine; In 1,4-dioxane;