4-methyl-N,N-bis(2-methylsulfonyloxyethyl)benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N,N-bis(2-methylsulfonyloxyethyl)benzenesulfonamide
• CAS No.: 52601-81-7
• Molecular Formula: C13H21NO8S3
• Molecular Weight: 415.51
• NSC Number: 74844
• DSSTox Substance ID: DTXSID30967031
• Nikkaji Number: J1.233.103G
• Wikidata: Q82949522
• Mol file: 52601-81-7.mol

Synonyms:52601-81-7;4-methyl-N,N-bis(2-methylsulfonyloxyethyl)benzenesulfonamide;NSC74844;SCHEMBL5441671;DTXSID30967031;NSC-74844;2-[(4-methylphenyl)sulfonyl-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate;2,2'-(Tosylimino)diethanol bismethanesulfonate;[(4-Methylbenzene-1-sulfonyl)azanediyl]di(ethane-2,1-diyl) dimethanesulfonate

Chemical Property of 4-methyl-N,N-bis(2-methylsulfonyloxyethyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.04E-16mmHg at 25°C
• Boiling Point: 648.6°Cat760mmHg
• Flash Point: 346.1°C
• Density: 1.422g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 415.04293015
• Heavy Atom Count: 25
• Complexity: 667

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C

Technology Process of 4-methyl-N,N-bis(2-methylsulfonyloxyethyl)benzenesulfonamide

There total 2 articles about 4-methyl-N,N-bis(2-methylsulfonyloxyethyl)benzenesulfonamide 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: 100.0%

N-tosyldiethanolamine (7146-67-0) + methanesulfonyl chloride (124-63-0) → 4-Methyl-N,N-bis<2-(methylsulfonyloxy)ethyl>benzolsulfonamid (52601-81-7)

Guidance literature:

With triethylamine; In dichloromethane; at -10 ℃; for 0.25h;

DOI:10.1021/jo00082a019

Reference yield: 85.7%

N-tosyldiethanolamine (7146-67-0) + methanesulfonyl chloride (124-63-0) → 4-methyl-N,N-bis[2-methylsulfonyloxy) ethyl]benzenesulfonamide + 4-Methyl-N,N-bis<2-(methylsulfonyloxy)ethyl>benzolsulfonamid (52601-81-7)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield: 70.0%

4-Methyl-N,N-bis<2-(methylsulfonyloxy)ethyl>benzolsulfonamid (52601-81-7) → N,N-Bis(2-iodethyl)-4-methylbenzolsulfonamid (52601-83-9)

Guidance literature:

With sodium iodide; In acetone; for 72h; Heating;

upstream raw materials:

N-tosyldiethanolamine

methanesulfonyl chloride

Downstream raw materials:

N,N-bis-(2-fluoro-ethyl)-toluene-4-sulfonamide

N,N-Bis(2-iodethyl)-4-methylbenzolsulfonamid

N,N-bis-(2-azidoethyl)-4-methyl-benzenesulfonamide

N,N'-ditosyl-4,13-diazadibenzo-18-crown-6