Aziridine, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: Aziridine, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-
• CAS No.: 126690-80-0
• Molecular Formula: C11H13NO2S
• Molecular Weight: 223.296
• DSSTox Substance ID: DTXSID10450496
• Nikkaji Number: J1.335.403K
• Mol file: 126690-80-0.mol

Synonyms:126690-80-0;N-tosyl-2-vinylaziridine;Aziridine, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-;1-Tosyl-2-vinylaziridine;DTXSID10450496

Chemical Property of Aziridine, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.06669983
• Heavy Atom Count: 15
• Complexity: 336

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC2C=C

Technology Process of Aziridine, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-

There total 5 articles about Aziridine, 2-ethenyl-1-[(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: 81.0%

[N-(p-tolylsulfonyl)imino]phenyliodinane (55962-05-5) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → N-(p-toluenesulfonyl)-2-vinylaziridine (126690-80-0)

Guidance literature:

With copper acetylacetonate; In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.9b03672

Reference yield: 70.0%

chloroamine-T (127-65-1) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → N-(p-toluenesulfonyl)-2-vinylaziridine (126690-80-0)

Guidance literature:

With pyridinium hydrobromide perbromide; In acetonitrile; at 20 ℃;

DOI:10.1021/acs.orglett.0c03718

Reference yield:

N-[1-(2-Bromo-ethyl)-allyl]-4-methyl-benzenesulfonamide → N-(p-toluenesulfonyl)-2-vinylaziridine (126690-80-0)

Guidance literature:

With sodium hydroxide; cetyltributylphosphonium bromide; In dichloromethane; water; at 25 ℃; for 0.5h; Yield given;

DOI:10.1016/S0040-4039(01)80785-1

upstream raw materials:

[N-(p-tolylsulfonyl)imino]phenyliodinane

buta-1,3-diene

chloroamine-T

toluene-4-sulfonamide

Downstream raw materials:

(2E)-1N-(p-toluenesulfonamido)-octene

4-methyl-N-(oct-1-en-3-yl)benzenesulfonamide