1-Methyl-4-[(phenylsulfanyl)methanesulfonyl]benzene

Base Information

• Chemical Name: 1-Methyl-4-[(phenylsulfanyl)methanesulfonyl]benzene
• CAS No.: 37891-98-8
• Molecular Formula: C14H14O2S2
• Molecular Weight: 278.396
• DSSTox Substance ID: DTXSID90554486
• Nikkaji Number: J2.195.427F
• Wikidata: Q82435499
• Mol file: 37891-98-8.mol

Synonyms:37891-98-8;1-Methyl-4-[(phenylsulfanyl)methanesulfonyl]benzene;DTXSID90554486

Chemical Property of 1-Methyl-4-[(phenylsulfanyl)methanesulfonyl]benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.04352203
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CSC2=CC=CC=C2

Technology Process of 1-Methyl-4-[(phenylsulfanyl)methanesulfonyl]benzene

There total 3 articles about 1-Methyl-4-[(phenylsulfanyl)methanesulfonyl]benzene 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:

lithium thiophenoxide (2973-86-6) + Trifluoro-methanesulfonatephenyl-(toluene-4-sulfonylmethyl)-iodonium; → iodobenzene (591-50-4) + phenylthiomethyl para-tolylsulphone (37891-98-8)

Guidance literature:

In dichloromethane; for 3h; Ambient temperature;

DOI:10.1021/ja9707926

Reference yield:

1-((iodom ethyl)sulfonyl)-4-methylbenzene (37891-96-6) → phenylthiomethyl para-tolylsulphone (37891-98-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) 80percent H₂O₂ / 1.) -30 deg C to 25 deg C; 25 deg C, 10 min, 2.) CH₂Cl₂, -30 deg C to 25 deg C; 25 deg C, 4 h

2: 65 percent / CF₃COOH / CH₂Cl₂ / 12 h / Ambient temperature

3: 80 percent Spectr_. / CH₂Cl₂ / 3 h / Ambient temperature

With dihydrogen peroxide; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/ja9707926

Reference yield:

C12H9F6IO6S → phenylthiomethyl para-tolylsulphone (37891-98-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / CF₃COOH / CH₂Cl₂ / 12 h / Ambient temperature

2: 80 percent Spectr_. / CH₂Cl₂ / 3 h / Ambient temperature

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/ja9707926

upstream raw materials:

lithium thiophenoxide

1-((iodom ethyl)sulfonyl)-4-methylbenzene

Downstream raw materials:

2-Phenylsulfanylmethyl-pyrido[3,4-b]pyrazine

2-[Phenylsulfanyl-(toluene-4-sulfonyl)-methyl]-pyrido[3,4-b]pyrazine

(2-nitro-5,10,15,20-tetraphenyl-3-[(phenylsulfanyl)methyl]porphyrinato)zinc(II)