Phenol, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxy-

Base Information

• Chemical Name: Phenol, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxy-
• CAS No.: 156951-82-5
• Molecular Formula: C₁₈H₂₂O₅
• Molecular Weight: 318.37
• DSSTox Substance ID: DTXSID20415692
• Nikkaji Number: J726.866A
• Wikidata: Q72460848
• Metabolomics Workbench ID: 127130
• ChEMBL ID: CHEMBL219352
• Mol file: 156951-82-5.mol

Synonyms:chrysotoxine

Chemical Property of Phenol, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxy-

Chemical Property:

• PSA: 57.15000
• LogP: 3.21180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 318.14672380
• Heavy Atom Count: 23
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC)OC

Technology Process of Phenol, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxy-

There total 2 articles about Phenol, 4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxy- 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: 99.8%

4-(3,4-dimethoxyphenethyl)-2,6-dimethoxyphenyl acetate → 4-hydroxy-3,3',4',5-tetramethoxy-1,2-diphenylethane (156951-82-5)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 0.5h;

DOI:10.1039/c5ra21313d

Reference yield:

3,4-dimethoxystyryl-2,6-dimethoxyphenyl acetate → 4-hydroxy-3,3',4',5-tetramethoxy-1,2-diphenylethane (156951-82-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium on activated charcoal; hydrogen / 3040.2 Torr

2: sodium methylate / methanol / 0.5 h / 20 °C

With palladium on activated charcoal; hydrogen; sodium methylate; In methanol;

DOI:10.1039/c5ra21313d

Reference yield: 25.8%

Cyclopentyl bromide (137-43-9) + 4-hydroxy-3,3',4',5-tetramethoxy-1,2-diphenylethane (156951-82-5) → 2-(cyclopentyloxy)-5-(3,4-dimethoxyphenethyl)-1,3-dimethoxybenzene

Guidance literature:

In N,N-dimethyl-formamide; for 6h; Reflux;

DOI:10.1039/c5ra21313d