3-(2,5-Dimethoxyphenyl)-4,5,6-trimethoxy-1(3H)-isobenzofuranone

Base Information

• Chemical Name: 3-(2,5-Dimethoxyphenyl)-4,5,6-trimethoxy-1(3H)-isobenzofuranone
• CAS No.: 97989-55-4
• Molecular Formula: C₁₉H₂₀O₇
• Molecular Weight: 360.364
• DSSTox Substance ID: DTXSID101174358
• Mol file: 97989-55-4.mol

Synonyms:DTXSID101174358;3-(2,5-Dimethoxyphenyl)-4,5,6-trimethoxy-1(3H)-isobenzofuranone;97989-55-4

Chemical Property of 3-(2,5-Dimethoxyphenyl)-4,5,6-trimethoxy-1(3H)-isobenzofuranone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 360.12090297
• Heavy Atom Count: 26
• Complexity: 485

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)C2C3=C(C(=C(C=C3C(=O)O2)OC)OC)OC

Technology Process of 3-(2,5-Dimethoxyphenyl)-4,5,6-trimethoxy-1(3H)-isobenzofuranone

There total 3 articles about 3-(2,5-Dimethoxyphenyl)-4,5,6-trimethoxy-1(3H)-isobenzofuranone 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:

N,N-diethyl(3,4,5-trimethoxyphenyl)carboxamide (5470-42-8) → (dimethoxy-2,5-phenyl)-3 trimethoxy-4,5,6 3H-benzo-furanone-1 (97989-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 0.9N sec-butyllithium, (CH₂NMe₂)2 / 1.) THF, cyclohexane, -70 deg C, 1 h; 2.) THF, cyclohexane, RT, 15 h

2: H₂O / 1 h

With N,N,N,N,-tetramethylethylenediamine; water; sec.-butyllithium;

DOI:10.1016/S0040-4020(01)96558-5

Reference yield:

2,5-dimethoxybenzaldehyde (93-02-7) → (dimethoxy-2,5-phenyl)-3 trimethoxy-4,5,6 3H-benzo-furanone-1 (97989-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 0.9N sec-butyllithium, (CH₂NMe₂)2 / 1.) THF, cyclohexane, -70 deg C, 1 h; 2.) THF, cyclohexane, RT, 15 h

2: H₂O / 1 h

With N,N,N,N,-tetramethylethylenediamine; water; sec.-butyllithium;

DOI:10.1016/S0040-4020(01)96558-5

Reference yield:

2-[(2,5-Dimethoxy-phenyl)-hydroxy-methyl]-N,N-diethyl-3,4,5-trimethoxy-benzamide → 1,2,3,5,8-Pentamethoxy-anthraquinone + (dimethoxy-2,5-phenyl)-3 trimethoxy-4,5,6 3H-benzo-furanone-1 (97989-55-4)

Guidance literature:

With water; for 1h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)96558-5

upstream raw materials:

N,N-diethyl(3,4,5-trimethoxyphenyl)carboxamide

2,5-dimethoxybenzaldehyde