Benzenesulfonamide, N-2,4,6-cycloheptatrien-1-ylidene-

Base Information

• Chemical Name: Benzenesulfonamide, N-2,4,6-cycloheptatrien-1-ylidene-
• CAS No.: 19617-13-1
• Molecular Formula: C₁₃H₁₁NO₂S
• Molecular Weight: 245.302
• DSSTox Substance ID: DTXSID40448907
• Nikkaji Number: J815.714F
• Mol file: 19617-13-1.mol

Synonyms:Benzenesulfonamide, N-2,4,6-cycloheptatrien-1-ylidene-;19617-13-1;DTXSID40448907;N-(2,4,6-Cycloheptatrienylidene)benzenesulfonamide

Chemical Property of Benzenesulfonamide, N-2,4,6-cycloheptatrien-1-ylidene-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 245.05104977
• Heavy Atom Count: 17
• Complexity: 454

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=CC(=NS(=O)(=O)C2=CC=CC=C2)C=C1

Technology Process of Benzenesulfonamide, N-2,4,6-cycloheptatrien-1-ylidene-

There total 3 articles about Benzenesulfonamide, N-2,4,6-cycloheptatrien-1-ylidene- 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: 49.0%

benzenesulphinyl chloride (4972-29-6) + Tropone oxime (17529-61-2) → N-benzenesulfonyltroponimine (19617-13-1)

Guidance literature:

With triethylamine; In diethyl ether; for 5h; Ambient temperature;

Reference yield:

Tropone (539-80-0) → N-benzenesulfonyltroponimine (19617-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / hydroxylamine hydrochloride / methanol / 168 h

2: 49 percent / NEt₃ / diethyl ether / 5 h / Ambient temperature

With hydroxylamine hydrochloride; triethylamine; In methanol; diethyl ether;

Reference yield:

Tropone (539-80-0) + benzenesulphonyl isocyanate (2845-62-7) → N-benzenesulfonyltroponimine (19617-13-1)

Guidance literature:

DOI:10.1016/S0040-4039(01)98848-3

upstream raw materials:

Tropone

benzenesulphonyl isocyanate

benzenesulphinyl chloride

Tropone oxime

Downstream raw materials:

2-phenyl-1-azaazulene

Refernces