2,2-Dimethyl-1-(toluene-4-sulfonyl)-aziridine

Base Information

• Chemical Name: 2,2-Dimethyl-1-(toluene-4-sulfonyl)-aziridine
• CAS No.: 5048-64-6
• Molecular Formula: C11H15NO2S
• Molecular Weight: 225.312
• NSC Number: 127852
• DSSTox Substance ID: DTXSID40299057
• Nikkaji Number: J697.263B
• Mol file: 5048-64-6.mol

Synonyms:2,2-Dimethyl-1-(toluene-4-sulfonyl)-aziridine;5048-64-6;NSC127852;2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]aziridine;N-Tosyl-2,2-dimethylaziridin;2,2-Dimethyl-1-tosylaziridine;SCHEMBL9320981;DTXSID40299057;OQYXPCXXWCNTAB-UHFFFAOYSA-N;STK762062;AKOS000522256;NSC-127852;2,2-dimethylN-p-toluenesulfonyl-aziridine;2,2-dimethyl-N-p-toluenesulfonyl-aziridine;AB00096436-01;2,2-DIMETHYL-1-[(4-METHYLPHENYL)SULFONYL]AZIRANE

Chemical Property of 2,2-Dimethyl-1-(toluene-4-sulfonyl)-aziridine

Chemical Property:

• Vapor Pressure: 0.000221mmHg at 25°C
• Boiling Point: 326.1°Cat760mmHg
• Flash Point: 151°C
• Density: 1.209g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.08234989
• Heavy Atom Count: 15
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC2(C)C

Technology Process of 2,2-Dimethyl-1-(toluene-4-sulfonyl)-aziridine

There total 3 articles about 2,2-Dimethyl-1-(toluene-4-sulfonyl)-aziridine 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: 36.0%

2-Amino-2-methyl-1-propanol (124-68-5) + p-toluenesulfonyl chloride (98-59-9) → 2,2-dimethyl-1-(toluene-4-sulfonyl)aziridine (5048-64-6)

Guidance literature:

With dmap; 1,8-diazabicyclo[5.4.0]undec-7-ene; In chloroform; at 30 ℃; for 0.5h;

DOI:10.1021/acs.orglett.5b01777

Reference yield:

[N-(p-tolylsulfonyl)imino]phenyliodinane (55962-05-5) + isobutene (115-11-7,15220-85-6) → 2,2-dimethyl-1-(toluene-4-sulfonyl)aziridine (5048-64-6)

Guidance literature:

With CF₃O₃S^(3-)*Cu⁽²⁺⁾; In acetonitrile; at 0 - 25 ℃; for 2h; Molecular sieve;

DOI:10.1002/anie.201208471

Reference yield:

2,2-dimethylaziridine (2658-24-4) + p-toluenesulfonyl chloride (98-59-9) → 2,2-dimethyl-1-(toluene-4-sulfonyl)aziridine (5048-64-6)

Guidance literature:

With dmap; triethylamine; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jacs.7b06723

upstream raw materials:

[N-(p-tolylsulfonyl)imino]phenyliodinane

isobutene

2-Amino-2-methyl-1-propanol

p-toluenesulfonyl chloride

Downstream raw materials:

4,4-dimethyl-3-(toluene-4-sulfonyl)-thiazolidine-2-thione

N-(1,1-Dimethyl-2-piperidin-1-yl-ethyl)-4-methyl-benzenesulfonamide

9-<2-methyl-2-(tosylamino)propyl>xanthene

9,9-bis<2-methyl-2-(tosylamino)propyl>xanthene

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