3(2H)-Benzofuranone, 4,6-dimethoxy-2-(4-methylphenyl)-

Base Information

• Chemical Name: 3(2H)-Benzofuranone, 4,6-dimethoxy-2-(4-methylphenyl)-
• CAS No.: 857062-50-1
• Molecular Formula: C17H16O4
• Molecular Weight: 284.312
• DSSTox Substance ID: DTXSID90461000
• Nikkaji Number: J2.184.486A
• Mol file: 857062-50-1.mol

Synonyms:857062-50-1;3(2H)-Benzofuranone, 4,6-dimethoxy-2-(4-methylphenyl)-;DTXSID90461000

Chemical Property of 3(2H)-Benzofuranone, 4,6-dimethoxy-2-(4-methylphenyl)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2C(=O)C3=C(O2)C=C(C=C3OC)OC

Technology Process of 3(2H)-Benzofuranone, 4,6-dimethoxy-2-(4-methylphenyl)-

There total 1 articles about 3(2H)-Benzofuranone, 4,6-dimethoxy-2-(4-methylphenyl)- 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:

4,6-dimethoxycoumaranone (4225-35-8) + para-bromotoluene (106-38-7) → 4,6-dimethoxy-2-p-tolyl-benzofuran-3-one (857062-50-1) + 4,6-dimethoxy-3-p-tolyloxy-benzofuran

Guidance literature:

With potassium tert-butylate; 4-methoxy-phenol; palladacycle catalyst; In toluene; at 110 ℃;

DOI:10.1016/j.tetlet.2005.09.062

Reference yield:

4,6-dimethoxy-2-p-tolyl-benzofuran-3-one (857062-50-1) → (1S,3S,3aR,8bS)-6,8-Dimethoxy-3-phenyl-3a-p-tolyl-1,2,3,3a-tetrahydro-benzo[b]cyclopenta[d]furan-1,8b-diol

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / methanol

2: SmI₂ / CH₂Cl₂

With samarium diiodide; sodium methylate; In methanol; dichloromethane; 1: Michael reaction;

DOI:10.1002/ejoc.200400891

Reference yield:

4,6-dimethoxy-2-p-tolyl-benzofuran-3-one (857062-50-1) + (E)-3-phenylpropenal (14371-10-9) → (R)-3-((S)-4,6-Dimethoxy-3-oxo-2-p-tolyl-2,3-dihydro-benzofuran-2-yl)-3-phenyl-propionaldehyde + (S)-3-((S)-4,6-Dimethoxy-3-oxo-2-p-tolyl-2,3-dihydro-benzofuran-2-yl)-3-phenyl-propionaldehyde

Guidance literature:

With sodium methylate; In methanol;

DOI:10.1002/ejoc.200400891

upstream raw materials:

4,6-dimethoxycoumaranone

para-bromotoluene