2-[(4-Methylphenyl)thio]-1,2-diphenylethanone

Base Information

• Chemical Name: 2-[(4-Methylphenyl)thio]-1,2-diphenylethanone
• CAS No.: 17527-58-1
• Molecular Formula: C21H18OS
• Molecular Weight: 318.439
• DSSTox Substance ID: DTXSID10402157
• Nikkaji Number: J3.115.476F

Synonyms:ST51033228;2-[(4-Methylphenyl)thio]-1,2-diphenylethanone;17527-58-1;DTXSID10402157;AKOS024383609

Chemical Property of 2-[(4-Methylphenyl)thio]-1,2-diphenylethanone

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 318.10783637
• Heavy Atom Count: 23
• Complexity: 360

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Technology Process of 2-[(4-Methylphenyl)thio]-1,2-diphenylethanone

There total 3 articles about 2-[(4-Methylphenyl)thio]-1,2-diphenylethanone 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: 78.0%

phenyl benzyl ketone (451-40-1) + di(p-tolyl) disulfide (103-19-5) → α-(p-Tolylsulfenyl)benzyl-phenyl-keton (17527-58-1)

Guidance literature:

With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In N,N-dimethyl acetamide; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2012.07.132

Reference yield:

<1,2-Diphenyl-2-(p-tolyl-mercapto)-vinyl>-2,4,6-trinitro-benzolsulfonat (30300-65-3) → α-(p-Tolylsulfenyl)benzyl-phenyl-keton (17527-58-1)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂SO₄, AcOH

With sulfuric acid; acetic acid;

DOI:10.1039/j39700002625

Reference yield:

→ α-(p-Tolylsulfenyl)benzyl-phenyl-keton (17527-58-1)

Guidance literature:

/BRN= 2469007/;

DOI:10.1021/ja01587a038

upstream raw materials:

<1,2-Diphenyl-2-(p-tolyl-mercapto)-vinyl>-2,4,6-trinitro-benzolsulfonat

phenyl benzyl ketone

di(p-tolyl) disulfide

Downstream raw materials:

1,2-Diphenyl-2-(toluene-4-sulfinyl)-ethanone

5-methyl-2,3-diphenylbenzo[b]thiophene

1,2-diphenyl-2-(p-tolylthio)ethanol

cis-1,2-diphenyloxirane

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