2',4',6'-Trimethoxyacetophenone

Base Information

• Chemical Name: 2',4',6'-Trimethoxyacetophenone
• CAS No.: 832-58-6
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 29145090
• European Community (EC) Number: 627-319-3
• DSSTox Substance ID: DTXSID10232214
• Nikkaji Number: J167.359I
• Wikidata: Q63409322
• ChEMBL ID: CHEMBL4462275
• Mol file: 832-58-6.mol

Synonyms:2,4,6-trimethoxyacetophenone

Chemical Property of 2',4',6'-Trimethoxyacetophenone

Chemical Property:

• Vapor Pressure: 7.27E-05mmHg at 25°C
• Melting Point: 98-102 °C
• Refractive Index: 1.495
• Boiling Point: 343 °C at 760 mmHg
• Flash Point: 152 °C
• PSA: 44.76000
• Density: 1.089 g/cm³
• LogP: 1.91500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Soluble in chloroform.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

98%,99%, ^*data from raw suppliers

2'',4'',6''-Trimethoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1OC)OC)OC
• Uses: 2',4',6'-Trimethoxyacetophenone is used in the production of 4,2',4',6'-tetramethoxy-chalcone.

Technology Process of 2',4',6'-Trimethoxyacetophenone

There total 24 articles about 2',4',6'-Trimethoxyacetophenone 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: 99.0%

1,2,3-trimethoxybenzene (621-23-8) + acetyl chloride (75-36-5) → 1-(2,4,6-trimethoxyphenyl)ethanone (832-58-6)

Guidance literature:

1,2,3-trimethoxybenzene; In dichloromethane; at 0 ℃; for 0.166667h;

acetyl chloride; With aluminum (III) chloride; In dichloromethane; for 2h;

DOI:10.1016/j.tet.2013.05.024

Reference yield: 99.0%

1,2,3-trimethoxybenzene (621-23-8) + acetic anhydride (108-24-7) → 1-(2,4,6-trimethoxyphenyl)ethanone (832-58-6)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In acetonitrile; for 0.5h; Time; Inert atmosphere; Microwave irradiation; Heating; Green chemistry;

DOI:10.1039/c3gc40720a

Reference yield: 90.0%

2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) + dimethyl sulfate (77-78-1) → 1-(2,4,6-trimethoxyphenyl)ethanone (832-58-6)

Guidance literature:

cetyltrimethylammonim bromide; In sodium hydroxide; chloroform; Ambient temperature;

upstream raw materials:

1,2,3-trimethoxybenzene

acetic anhydride

acetyl chloride

acetic acid

Downstream raw materials:

(2E)-1-(2,4,6-trimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one

2-hydroxy-4,6-dimethoxyacetophenone

(E)-4-(2,4,6-trimethoxyphenyl)-4-oxo-2-butenoic acid

1-(2,4,6-Trimethoxy-3-trifluoromethylsulfanyl-phenyl)-ethanone

Refernces

• 1、 Perera, Shashika,Fernando, Asantha,Dallman, Johnathan,Weeramange, Chamitha,Lansakara, Ashabha,Nguyen, Thi,Rafferty, Ryan J.. "Construction and Biological Evaluation of Small Libraries Based on the Intermediates within the Total Synthesis of Uvaretin". . p. 1631 - 1639. Retrieved 2021/04/29.
• 2、 Dallman, Johnathan,Lansakara, Ashabha,Nguyen, Thi,Weeramange, Chamitha,Hulangamuwa, Wasundara,Rafferty, Ryan J.. "The winding road of the uvaretin class of natural products: From total synthesis to bioactive agent discovery". . p. 1420 - 1431. Retrieved 2019/08/21.