1-(4-Chlorobenzene-1-sulfonyl)-2-phenylaziridine

Base Information

• Chemical Name: 1-(4-Chlorobenzene-1-sulfonyl)-2-phenylaziridine
• CAS No.: 50707-39-6
• Molecular Formula: C14H12ClNO2S
• Molecular Weight: 293.774
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40964955
• Nikkaji Number: J645.067I
• Mol file: 50707-39-6.mol

Synonyms:DTXSID40964955;1-(4-Chlorobenzene-1-sulfonyl)-2-phenylaziridine;50707-39-6

Chemical Property of 1-(4-Chlorobenzene-1-sulfonyl)-2-phenylaziridine

Chemical Property:

• Vapor Pressure: 4.91E-08mmHg at 25°C
• Boiling Point: 442.7°Cat760mmHg
• Flash Point: 221.6°C
• PSA: 45.53000
• Density: 1.414g/cm³
• LogP: 4.10430
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.0277275
• Heavy Atom Count: 19
• Complexity: 406

Purity/Quality:

99% ^*data from raw suppliers

1-(4-CHLORO-BENZENESULFONYL)-2-PHENYL-AZIRIDINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(N1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
• Isomeric SMILES: C1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Technology Process of 1-(4-Chlorobenzene-1-sulfonyl)-2-phenylaziridine

There total 7 articles about 1-(4-Chlorobenzene-1-sulfonyl)-2-phenylaziridine 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: 84.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-Chlorobenzenesulfonamide (98-64-6) → 1-(4-chlorophenyl)sulfonyl-2-phenyl aziridine (50707-39-6)

Guidance literature:

With copper(l) iodide; iodosylbenzene; In acetonitrile; at 20 ℃; for 18h; Molecular sieve; Inert atmosphere;

DOI:10.1016/j.tetlet.2008.10.105

Reference yield: 75.0%

C56H52N4(2-)*2C6H4ClNO2S(2-)*Ru(6+) + styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 1-(4-chlorophenyl)sulfonyl-2-phenyl aziridine (50707-39-6)

Guidance literature:

With NH-pyrazole; In dichloromethane; at 24.85 ℃; for 3h;

DOI:10.1021/ja0542789

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + N-chloro-p-chlorobenzenesulfonamide sodium salt (30066-82-1) → 1-(4-chlorophenyl)sulfonyl-2-phenyl aziridine (50707-39-6)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; iodine; In dichloromethane; water; at 25 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01723

upstream raw materials:

styrene

N,N-dichloro-4-chlorobenzenesulfonamide

[N-(p-chlorophenylsulfonyl)imino]phenyliodinane

4-Chlorobenzenesulfonamide

Downstream raw materials:

1-(4-Chloro-benzenesulfonyl)-2-phenyl-azetidine

ethyl (E)-3-(4-chloro-N-(1-phenylvinyl)phenylsulfonamido)acrylate

4-chlorobenzenesulfonic acid N-(2-oxo-2-phenylethyl)amide