S-(Diphenylmethyl) 4-methylbenzene-1-sulfonothioate

Base Information

• Chemical Name: S-(Diphenylmethyl) 4-methylbenzene-1-sulfonothioate
• CAS No.: 83994-72-3
• Molecular Formula: C₂₀H₁₈O₂S₂
• Molecular Weight: 354.494
• DSSTox Substance ID: DTXSID90564343
• Wikidata: Q82449028
• Mol file: 83994-72-3.mol

Synonyms:83994-72-3;S-(Diphenylmethyl) 4-methylbenzene-1-sulfonothioate;DTXSID90564343

Chemical Property of S-(Diphenylmethyl) 4-methylbenzene-1-sulfonothioate

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 354.07482216
• Heavy Atom Count: 24
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-(Diphenylmethyl) 4-methylbenzene-1-sulfonothioate

There total 2 articles about S-(Diphenylmethyl) 4-methylbenzene-1-sulfonothioate 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: 42.0%

morpholinium p-toluenethiosulfonate (72087-93-5) + Bromodiphenylmethane (776-74-9) → diphenylmethyl p-toluenethiosulfonate (83994-72-3)

Guidance literature:

In acetonitrile; at 85 ℃;

DOI:10.1021/jo00201a007

Reference yield:

1,1-Diphenylmethanol (91-01-0) → diphenylmethyl p-toluenethiosulfonate (83994-72-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / methyl sulfide, N-bromosuccinimide / CH₂Cl₂

2: 42 percent / acetonitrile / 85 °C

With N-Bromosuccinimide; dimethylsulfide; In dichloromethane; acetonitrile;

DOI:10.1021/jo00201a007

Reference yield:

diphenylmethyl p-toluenethiosulfonate (83994-72-3) → 4,4'-diphenylmethyl (phenylsulfonyl)methyl sulfoxide (132102-75-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) BuLi / 1) THF, -77 deg C, 0.5 h, 2) THF, -77 deg C, 0.5 h

2: 61 percent / m-chloroperoxybenzoic acid / CHCl₃ / 2 h / Ambient temperature

With n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In chloroform;

DOI:10.1021/jo00004a017

upstream raw materials:

morpholinium p-toluenethiosulfonate

Bromodiphenylmethane

1,1-Diphenylmethanol

Downstream raw materials:

diphenylmethyl (phenylsulfonyl)methyl sulfide

diphenylmethyl <(p-methoxyphenyl)sulfonyl>methyl sulfide

Thiobenzophenon

diphenylmethyl (p-tolylsulfonyl)methyl sulfide