Ethanone, 1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxy-

Base Information

• Chemical Name: Ethanone, 1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxy-
• CAS No.: 14639-73-7
• Molecular Formula: C11H14O6
• Molecular Weight: 242.229
• DSSTox Substance ID: DTXSID00445775
• Wikidata: Q82264302
• Mol file: 14639-73-7.mol

Synonyms:Ethanone, 1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxy-;14639-73-7;DTXSID00445775;1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxyethanone

Chemical Property of Ethanone, 1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxy-

Chemical Property:

• Melting Point: 139–140°C
• PSA: 85.22000
• LogP: 0.94410
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 242.07903816
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(=O)C1=C(C(=C(C=C1O)OC)O)OC

Technology Process of Ethanone, 1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxy-

There total 3 articles about Ethanone, 1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-2-methoxy- 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: 22.0%

2'-hydroxy-2,4',6'-trimethoxyacetophenone (17874-42-9) → 1-(3,6-dihydroxy-2,4-dimethoxy-phenyl)-2-methoxy-ethanone (14639-73-7)

Guidance literature:

With sodium hydroxide; dipotassium peroxodisulfate; In pyridine; water;

DOI:10.1021/jm970842h

Reference yield:

3,5-dimethoxyphenol (500-99-2) → 1-(3,6-dihydroxy-2,4-dimethoxy-phenyl)-2-methoxy-ethanone (14639-73-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 45 percent / HCl, ZnCl₂ / diethyl ether

2: 22 percent / K₂S₂O₈, NaOH / pyridine; H₂O

With hydrogenchloride; sodium hydroxide; dipotassium peroxodisulfate; zinc(II) chloride; In pyridine; diethyl ether; water;

DOI:10.1021/jm970842h

Reference yield:

→ 1-(3,6-dihydroxy-2,4-dimethoxy-phenyl)-2-methoxy-ethanone (14639-73-7)

Guidance literature:

DOI:10.1039/j39670000976

upstream raw materials:

2'-hydroxy-2,4',6'-trimethoxyacetophenone

3,5-dimethoxyphenol

Downstream raw materials:

2-(3,4-dimethoxy-phenyl)-6-hydroxy-3,5,7-trimethoxy-chromen-4-one

2-(3-benzyloxy-4-methoxy-phenyl)-6-hydroxy-3,5,7-trimethoxy-chromen-4-one

6-hydroxy-3,5,7-trimethoxy-2-(4-methoxy-phenyl)-chromen-4-one

6-hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one