Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-

Base Information

• Chemical Name: Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-
• CAS No.: 20805-57-6
• Molecular Formula: C9H10N2O3S
• Molecular Weight: 226.256
• DSSTox Substance ID: DTXSID10460191

Synonyms:20805-57-6;Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-;DTXSID10460191;4-isocyanato-N,N-dimethylbenzene-1-sulfonamide;EN300-149843

Chemical Property of Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 226.04121336
• Heavy Atom Count: 15
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)N=C=O

Technology Process of Benzenesulfonamide, 4-isocyanato-N,N-dimethyl-

There total 2 articles about Benzenesulfonamide, 4-isocyanato-N,N-dimethyl- 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:

bis(trichloromethyl) carbonate (32315-10-9) + 4-amino-N,N-dimethylbenzenesulphonamide (1709-59-7) → 4-isocyanato-benzenesulfonic acid dimethylamide (20805-57-6)

Guidance literature:

With triethylamine; In 1,2-dichloro-ethane; at 0 - 85 ℃; for 8.5h; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112100

Reference yield:

phosgene (75-44-5) + 4-amino-N,N-dimethylbenzenesulphonamide (1709-59-7) → 4-isocyanato-benzenesulfonic acid dimethylamide (20805-57-6)

Guidance literature:

With benzene;

Reference yield: 67.0%

4-isocyanato-benzenesulfonic acid dimethylamide (20805-57-6) + 5'-N-ethyl-2',3'-O-isopropylidenecarboxamidoadenosine (39491-53-7) → 1-deoxy-1-[6-[[[(4-(N,N-dimethylaminosulfonyl)phenyl)amino]carbonyl]amino]-9H-purin-9-yl]-N-ethyl-2,3-O-(1-methylethylidene)-β-D-ribofuranuronamide

Guidance literature:

With TEA; In 1,4-dioxane; for 18h; Heating;

DOI:10.1021/jm0408161

upstream raw materials:

phosgene

4-amino-N,N-dimethylbenzenesulphonamide

bis(trichloromethyl) carbonate

Downstream raw materials:

N-dimethylcarbamoyl-sulfanilic acid dimethylamide

N-benzyloxycarbonyl-sulfanilic acid dimethylamide

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