1-(3-Ethoxy-2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one

Base Information

• Chemical Name: 1-(3-Ethoxy-2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one
• CAS No.: 89880-47-7
• Molecular Formula: C12H16O5
• Molecular Weight: 240.25200
• DSSTox Substance ID: DTXSID90529174
• Wikidata: Q82399391
• Mol file: 89880-47-7.mol

Synonyms:89880-47-7;1-(3-Ethoxy-2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one;DTXSID90529174

Chemical Property of 1-(3-Ethoxy-2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one

Chemical Property:

• Melting Point: 74–75°C
• PSA: 64.99000
• LogP: 2.01070
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 240.09977361
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C(=C1O)C(=O)C)OC)OC

Technology Process of 1-(3-Ethoxy-2-hydroxy-4,6-dimethoxyphenyl)ethan-1-one

There total 3 articles about 1-(3-Ethoxy-2-hydroxy-4,6-dimethoxyphenyl)ethan-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: 53.0%

1,2,3,5-tetramethoxybenzene (5333-45-9) + acetyl chloride (75-36-5) → 1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone (7507-98-4) + 2,30dihydroxy-4,6-dimethoxyacetophenone (21919-66-4) + 3-ethoxy-2-hydroxy-4,6-dimethoxyacetophenone (89880-47-7)

Guidance literature:

With aluminium trichloride; In diethyl ether; at 30 ℃; for 6h;

Reference yield:

1,2,3,5-tetramethoxybenzene (5333-45-9) + acetyl chloride (75-36-5) → 1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone (7507-98-4) + 3-ethoxy-2-hydroxy-4,6-dimethoxyacetophenone (89880-47-7)

Guidance literature:

With aluminium trichloride; In diethyl ether; at 22 ℃; for 17h; Yield given. Yields of byproduct given;

Reference yield:

1,2,3,5-tetramethoxybenzene (5333-45-9) + acetyl chloride (75-36-5) → 1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone (7507-98-4) + 1-(2,3,4,6-tetramethoxyphenyl)ethanone (7508-05-6) + 2-Ethoxy-1,3,5-trimethoxybenzol (69832-53-7) + 3-ethoxy-2-hydroxy-4,6-dimethoxyacetophenone (89880-47-7)

Guidance literature:

With aluminium trichloride; In diethyl ether; at 22 ℃; for 2h;

upstream raw materials:

1,2,3,5-tetramethoxybenzene

acetyl chloride

Downstream raw materials:

3'-ethoxy-2'-hydroxy-4',6'-dimethoxychalcone

2,30dihydroxy-4,6-dimethoxyacetophenone

3-ethoxy-2,6-dihydroxy-4-methoxyacetophenone

3'-ethoxy-2',5'-dihydroxy-4',6'-dimethoxychalcone