1-Benzylaziridine

Base Information

• Chemical Name: 1-Benzylaziridine
• CAS No.: 1074-42-6
• Molecular Formula: C9H11 N
• Molecular Weight: 133.193
• NSC Number: 18610
• UNII: 4LG9J0U7NL
• DSSTox Substance ID: DTXSID00148037
• Nikkaji Number: J100.489A
• Wikidata: Q83013485
• Mol file: 1074-42-6.mol

Synonyms:1-Benzylaziridine;N-Benzylaziridine;1074-42-6;1-Benzylethylenimine;N-Benzylethylenimine;Aziridine, 1-benzyl-;Aziridine, 1-(phenylmethyl)-;N-Benzyl Aziridine;Aziridine,1-(phenylmethyl)-;4LG9J0U7NL;Aziridine, 1-benzyl- (8CI);NSC 18610;NSC-18610;NSC18610;UNII-4LG9J0U7NL;SCHEMBL242970;1-(PHENYLMETHYL)AZIRIDINE;DTXSID00148037

Chemical Property of 1-Benzylaziridine

Chemical Property:

• Vapor Pressure: 0.95mmHg at 25°C
• Boiling Point: 179.3°Cat760mmHg
• PKA: 6.85±0.20(Predicted)
• Flash Point: 54.7°C
• PSA: 3.01000
• Density: 1.086g/cm³
• LogP: 1.44010
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 133.089149355
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1CC2=CC=CC=C2

Technology Process of 1-Benzylaziridine

There total 15 articles about 1-Benzylaziridine 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%

N-(2-bromoethyl)benzylammonium bromide (33538-02-2) → 1-benzylaziridine (1074-42-6)

Guidance literature:

DOI:10.1002/(SICI)1099-0690(200003)2000:6<1037::AID-EJOC1037>3.0.CO;2-C

Reference yield: 80.0%

ethyleneimine (151-56-4,9002-98-6) + benzyl chloride (100-44-7) → 1-benzylaziridine (1074-42-6)

Guidance literature:

With sodium hydroxide; for 3h; Ambient temperature;

Reference yield: 76.0%

N-Benzylethanolamine (104-63-2) → 1-benzylaziridine (1074-42-6) + C15H23N3O4 (96546-92-8)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1055/s-1984-31041

upstream raw materials:

N-Benzylethanolamine

ethyleneimine

benzyl chloride

1-benzyl-4,5-dihydro-1H-[1,2,3]triazole

Downstream raw materials:

N,N'-dibenzyl-N-<(trimethylsilyl)methyl>ethylenediamine

N,N’,N’’,N’’’-tetrabenzyl-1,4,7,10-tetraazacyclododecane

2-(4-benzylphenyl)-3,4-dihydroisoquinolin-1(2H)-one

N,N'-dibenzylpiperazine

Refernces

• 1、 Qian, Guangyin,Bai, Miao,Gao, Shijun,Chen, Han,Zhou, Siwei,Cheng, Hong-Gang,Yan, Wei,Zhou, Qianghui. "Modular One-Step Three-Component Synthesis of Tetrahydroisoquinolines Using a Catellani Strategy". . p. 10980 - 10984. Retrieved 2018/07/30.
• 2、 Bradley, Lynn M.,Nardone, Michael J.,Hunt, David A.. "An expedient in situ preparation of symmetrical 1,4-dibenzylpiperazines from benzyl bromides and 2-bromoethylamine hydrobromide". scheme or table. p. 5613 - 5614. Retrieved 2010/10/21.