1-Phenylaziridine

Base Information

• Chemical Name: 1-Phenylaziridine
• CAS No.: 696-18-4
• Molecular Formula: C8H9 N
• Molecular Weight: 119.166
• Hs Code.: 2933990090
• European Community (EC) Number: 211-789-8
• NSC Number: 3373
• DSSTox Substance ID: DTXSID30219865
• Nikkaji Number: J101.061A
• Wikidata: Q83096894
• Mol file: 696-18-4.mol

Synonyms:1-Phenylaziridine;N-Phenylaziridine;Aziridine, 1-phenyl-;696-18-4;N-Phenylethylenimine;NSC 3373;EINECS 211-789-8;AI3-50491;phenylaziridine;phenyl-aziridine;1-Phenyl-aziridine;SCHEMBL385012;DTXSID30219865;NSC3373;NSC-3373;AKOS006273456

Chemical Property of 1-Phenylaziridine

Chemical Property:

• Vapor Pressure: 0.422mmHg at 25°C
• Boiling Point: 195.3°C at 760 mmHg
• Flash Point: 64.4°C
• PSA: 3.01000
• Density: 1.098g/cm³
• LogP: 1.57160
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 119.073499291
• Heavy Atom Count: 9
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

1-PHENYLAZIRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C2=CC=CC=C2

Technology Process of 1-Phenylaziridine

There total 14 articles about 1-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: 90.0%

2-Anilinoethanol (122-98-5) → 1-phenylaziridine (696-18-4)

Guidance literature:

With 1 M DTPP; at 60 ℃; for 48h;

DOI:10.1021/jo00351a020

Reference yield: 61.0%

3,5-diphenyloxazolidine → 1-phenylaziridine (696-18-4)

Guidance literature:

In gas; at 550 ℃; under 0.02 Torr;

Reference yield: 23.0%

3-phenyl-oxazolidine (20503-92-8) → 1-phenylaziridine (696-18-4)

Guidance literature:

In gas; at 550 ℃; under 0.02 Torr;

upstream raw materials:

N-(2-chloroethyl)aniline

N-(β-bromoethyl)aniline hydrobromide

N-(2-chloroethyl)aniline hydrochloride

N-phenyl-2-bromoethylamine

Downstream raw materials:

3-phenyl-2-phenylimino-1,3-thiazolidine

1,4-diphenyl-piperazine

N-phenylaziridine-dicarbonyl-η(5)-cyclopentadienyl-manganese(I)

N-(4'-chlorobiphenyl-4-carbonyl)-2(R)-phenyl-aziridine

Refernces

• 1、 -. "Cationic N-substituted aniline ionic liquid and preparation method thereof". Paragraph 0089-0097. . Retrieved 2020/05/14.
• 2、 -. "Substituted amine derivatives, their production and use". . . Retrieved 2008/06/13.