1,3-Bis(4-methoxyphenyl)-2-benzothiophene

Base Information

• Chemical Name: 1,3-Bis(4-methoxyphenyl)-2-benzothiophene
• CAS No.: 128709-98-8
• Molecular Formula: C22H18O2S
• Molecular Weight: 346.45
• DSSTox Substance ID: DTXSID50562820
• Nikkaji Number: J336.237J
• Wikidata: Q82447103
• Mol file: 128709-98-8.mol

Synonyms:1,3-Bis(4-methoxyphenyl)-2-benzothiophene;128709-98-8;DTXSID50562820

Chemical Property of 1,3-Bis(4-methoxyphenyl)-2-benzothiophene

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 346.10275099
• Heavy Atom Count: 25
• Complexity: 374

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(S2)C4=CC=C(C=C4)OC

Technology Process of 1,3-Bis(4-methoxyphenyl)-2-benzothiophene

There total 6 articles about 1,3-Bis(4-methoxyphenyl)-2-benzothiophene 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: 89.0%

o-bis(p-methoxyphenoyl)benzene (7477-28-3) → 1,3-Bis(4-methoxyphenyl)benzothiophen (128709-98-8)

Guidance literature:

With tetraphosphorus decasulfide; sodium hydrogencarbonate; In acetonitrile; at 30 ℃; for 4h;

DOI:10.1055/s-1990-26976

Reference yield: 66.0%

1-bromo-4-methoxy-benzene (104-92-7) + 3-(4-methoxyphenyl)phthalide (21615-74-7) → 1,3-Bis(4-methoxyphenyl)benzothiophen (128709-98-8)

Guidance literature:

1-bromo-4-methoxy-benzene; With magnesium; In tetrahydrofuran; Heating;

3-(4-methoxyphenyl)phthalide; In tetrahydrofuran; at 0 ℃;

With Lawessons reagent; In dichloromethane; at 20 ℃; for 10h;

DOI:10.1016/j.tetlet.2005.04.048

Reference yield:

1-bromo-4-methoxy-benzene (104-92-7) → 1,3-Bis(4-methoxyphenyl)benzothiophen (128709-98-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / tetrahydrofuran / Heating

1.2: 55 percent / tetrahydrofuran

2.1: Mg / tetrahydrofuran / Heating

2.2: tetrahydrofuran / 0 °C

2.3: 66 percent / Lawesson's reagent / CH₂Cl₂ / 10 h / 20 °C

With magnesium; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2005.04.048

upstream raw materials:

o-bis(p-methoxyphenoyl)benzene

1-bromo-4-methoxy-benzene

3-(4-methoxyphenyl)phthalide

Phthaloyl dichloride

Downstream raw materials:

endo-1,2,3,4-Tetrahydro-1,4-bis(4-methoxyphenyl)-N-phenyl-1,4-epithionaphthalin-2,3-dicarboximid

o-bis(p-methoxyphenoyl)benzene

(E)-4'-Methoxy-2-(4-methoxythiobenzoyl)benzophenon-S-oxid