9-(4-Methoxyphenyl)-9-(2,4,6-trimethylphenyl)-9H-thioxanthene

Base Information

• Chemical Name: 9-(4-Methoxyphenyl)-9-(2,4,6-trimethylphenyl)-9H-thioxanthene
• CAS No.: 90133-54-3
• Molecular Formula: C₂₉H₂₆OS
• Molecular Weight: 422.591
• DSSTox Substance ID: DTXSID10524540
• Wikidata: Q82391473
• Mol file: 90133-54-3.mol

Synonyms:90133-54-3;DTXSID10524540;9-(4-METHOXYPHENYL)-9-(2,4,6-TRIMETHYLPHENYL)-9H-THIOXANTHENE

Chemical Property of 9-(4-Methoxyphenyl)-9-(2,4,6-trimethylphenyl)-9H-thioxanthene

Chemical Property:

• PSA: 34.53000
• LogP: 7.46770
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 422.17043662
• Heavy Atom Count: 31
• Complexity: 562

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C2(C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=C(C=C5)OC)C

Technology Process of 9-(4-Methoxyphenyl)-9-(2,4,6-trimethylphenyl)-9H-thioxanthene

There total 10 articles about 9-(4-Methoxyphenyl)-9-(2,4,6-trimethylphenyl)-9H-thioxanthene 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: 44.0%

1-bromo-4-methoxy-benzene (104-92-7) + 9-mesityl-thioxanthylium perchlorate (90133-53-2) → 9-mesityl-9-(p-methoxyphenyl)thioxanthene (90133-54-3)

Guidance literature:

With iodine; magnesium; In tetrahydrofuran; diethyl ether; for 5h; Heating;

DOI:10.1021/jo00187a033

Reference yield: 6.6%

9-mesityl-10-(p-methoxyphenyl)thioxanthenium perchlorate (90133-47-4) → 9-mesitylthioxanthene (53512-25-7) + 9-hydroxy-9-mesitylthioxanthene 10,10-dioxide (72780-38-2) + 9-mesityl-9-(p-methoxyphenyl)thioxanthene (90133-54-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 2h; Further byproducts given; Heating;

DOI:10.1021/jo00187a033

Reference yield:

2,4,6-trimethylphenyl bromide (576-83-0) → 9-mesityl-9-(p-methoxyphenyl)thioxanthene (90133-54-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 66 percent / Mg, (I₂) / tetrahydrofuran / 4 h / Heating

2: 97 percent / HClO₄ (70percent) / acetic acid / 0.5 h / Heating

3: 44 percent / Mg, (I₂) / diethyl ether; tetrahydrofuran / 5 h / Heating

With perchloric acid; iodine; magnesium; In tetrahydrofuran; diethyl ether; acetic acid;

DOI:10.1021/jo00187a033

upstream raw materials:

1-bromo-4-methoxy-benzene

9-mesityl-thioxanthylium perchlorate

9-mesityl-10-(p-methoxyphenyl)thioxanthenium perchlorate

thio-xanthene-9-one

Refernces