Benzenesulfonimidoyl chloride, N-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: Benzenesulfonimidoyl chloride, N-[(4-methylphenyl)sulfonyl]-
• CAS No.: 89538-92-1
• Molecular Formula: C13H12ClNO3S2
• Molecular Weight: 329.828
• DSSTox Substance ID: DTXSID50462811
• Nikkaji Number: J1.428.178I
• Mol file: 89538-92-1.mol

Synonyms:89538-92-1;Benzenesulfonimidoyl chloride, N-[(4-methylphenyl)sulfonyl]-;DTXSID50462811

Chemical Property of Benzenesulfonimidoyl chloride, N-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 328.9947133
• Heavy Atom Count: 20
• Complexity: 533

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)N=S(=O)(C2=CC=CC=C2)Cl

Technology Process of Benzenesulfonimidoyl chloride, N-[(4-methylphenyl)sulfonyl]-

There total 4 articles about Benzenesulfonimidoyl chloride, N-[(4-methylphenyl)sulfonyl]- 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:

thiophenol (108-98-5) → N-(4-methylbenzenesulfonyl) phenyl sulfonimidoyl chloride (89538-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 0.17 h / -40 °C

1.2: 3.75 h / -40 - 20 °C

2.1: toluene / 3 h / 80 °C

With acetic acid; In toluene;

DOI:10.1002/adsc.202100162 DOI:10.1021/acs.joc.1c02971

Reference yield:

sodium benzenesulfonate (873-55-2) → N-(4-methylbenzenesulfonyl) phenyl sulfonimidoyl chloride (89538-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / dichloromethane / 3.5 h / 0 - 23 °C

2: toluene / 3 h / 80 °C

With thionyl chloride; In dichloromethane; toluene;

DOI:10.1002/chem.201901176

Reference yield:

benzenesulphinyl chloride (4972-29-6) + chloramine T trihydrate (7080-50-4) → N-(4-methylbenzenesulfonyl) phenyl sulfonimidoyl chloride (89538-92-1)

Guidance literature:

In toluene; at 21 - 85 ℃;

DOI:10.1021/ol103030w

upstream raw materials:

benzenesulphinyl chloride

chloramine T trihydrate

sodium benzenesulfonate

thiophenol

Downstream raw materials:

(S)-N-<(S)-α-methylbenzyl>-N'(p-tolylsulfonyl)benzenesulfonimidamide

(R)-N-<(S)-α-methylbenzyl>-N'(p-tolylsulfonyl)benzenesulfonimidamide

C₂₀H₁₉NO₄S₂

C₂₀H₁₉NO₃S₂