(E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-1-one

Base Information

Chemical Name:(E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-1-one
CAS No.:72896-76-5
Molecular Formula:C13H16O4
Molecular Weight:236.268
Hs Code.:
ChEMBL ID:CHEMBL2272196
Nikkaji Number:J1.571.119A,J588.082C

Synonyms:(E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-1-one;72896-76-5;2-Buten-1-one, 1-(2,4,6-trimethoxyphenyl)-, (E)-;CHEMBL2272196;SCHEMBL18480627;1-(2,4,6-trimethoxyphenyl)-but-(2e)-en-1-one

Suppliers and Price of (E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-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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Total 0 raw suppliers

Chemical Property of (E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-1-one

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:236.10485899
Heavy Atom Count:17
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC(=O)C1=C(C=C(C=C1OC)OC)OC
Isomeric SMILES:C/C=C/C(=O)C1=C(C=C(C=C1OC)OC)OC

Technology Process of (E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-1-one

There total 5 articles about (E)-1-(2,4,6-Trimethoxyphenyl)-2-buten-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: 65.0%

: 72896-81-2
3-hydroxy-1-(2,4,6-trimethoxyphenyl)-butan-1-one

: 72896-76-5
1-(2,4,6-trimethoxyphenyl)-but-trans-2-en-1-one

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 2h; Heating;
DOI:10.1016/0045-6535(94)90026-4

Reference yield: 16.0%

: 621-23-8
1,2,3-trimethoxybenzene

: 10487-71-5
crotonyl chloride

: 72896-76-5
1-(2,4,6-trimethoxyphenyl)-but-trans-2-en-1-one

Guidance literature:: With iron(III) chloride; In carbon disulfide; for 4h; Heating;
DOI:10.1248/cpb.32.325

Reference yield:

: 832-58-6
1-(2,4,6-trimethoxyphenyl)ethanone

: 72896-76-5
1-(2,4,6-trimethoxyphenyl)-but-trans-2-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran / 1 h / -30 - -25 °C

1.2: 75 percent / tetrahydrofuran / 2 h / -40 °C

2.1: 65 percent / para-toluenesulfonic acid / benzene / 2 h / Heating

With toluene-4-sulfonic acid; lithium diisopropyl amide; In tetrahydrofuran; benzene; 1.1: Dehydrogenation / 1.2: Addition / 2.1: Dehydration;
DOI:10.1016/0045-6535(94)90026-4