1-{3,6-Dihydroxy-2,4-bis[(propan-2-yl)oxy]phenyl}ethan-1-one

Base Information

• Chemical Name: 1-{3,6-Dihydroxy-2,4-bis[(propan-2-yl)oxy]phenyl}ethan-1-one
• CAS No.: 93344-49-1
• Molecular Formula: C14H20 O5
• Molecular Weight: 0
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID30556787
• Wikidata: Q82438473
• Mol file: 93344-49-1.mol

Synonyms:93344-49-1;DTXSID30556787;AKOS025402075;AC-4313;1-{3,6-Dihydroxy-2,4-bis[(propan-2-yl)oxy]phenyl}ethan-1-one

Chemical Property of 1-{3,6-Dihydroxy-2,4-bis[(propan-2-yl)oxy]phenyl}ethan-1-one

Chemical Property:

• PSA: 75.99000
• LogP: 2.87480
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 268.13107373
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C(=C(C(=C1)O)C(=O)C)OC(C)C)O

Technology Process of 1-{3,6-Dihydroxy-2,4-bis[(propan-2-yl)oxy]phenyl}ethan-1-one

There total 3 articles about 1-{3,6-Dihydroxy-2,4-bis[(propan-2-yl)oxy]phenyl}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:

2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) → 2,5-dihydroxy-4,6-diisopropyloxyacetophenone (93344-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 11.5 g

2: 4.6 g / K₂S₂O₈

With dipotassium peroxodisulfate;

DOI:10.1248/cpb.32.4935

Reference yield:

2,4-dihydroxy-6-isopropoxyacetophenone → 2,5-dihydroxy-4,6-diisopropyloxyacetophenone (93344-49-1)

Guidance literature:

With pyridine; dipotassium peroxodisulfate; sodium hydroxide; at 20 ℃;

DOI:10.1016/j.ejmech.2021.113578

Reference yield:

1-(2-hydroxy-4,6-diisopropoxyphenyl)ethan-1-one (93344-48-0) → 2,5-dihydroxy-4,6-diisopropyloxyacetophenone (93344-49-1)

Guidance literature:

With dipotassium peroxodisulfate;

DOI:10.1248/cpb.32.4935

upstream raw materials:

1-(2-hydroxy-4,6-diisopropoxyphenyl)ethan-1-one

2,4,6-trihydroxyacetophenone

Downstream raw materials:

2-hydroxy-4,6-diisopropyloxy-5-methoxyacetophenone

5,7-dihydroxy-2',4',5',6-tetramethoxyflavone

2',5,7-trihydroxy-4',5',6-trimethoxyflavone

2′,4′,5,7-tetrahydroxy-5′,6-dimethoxyflavone