1-(Phenylethynyl)aziridine

Base Information

• Chemical Name: 1-(Phenylethynyl)aziridine
• CAS No.: 111512-93-7
• Molecular Formula: C10H9N
• Molecular Weight: 143.188
• DSSTox Substance ID: DTXSID20547462
• Wikidata: Q82425699
• Mol file: 111512-93-7.mol

Synonyms:111512-93-7;1-(Phenylethynyl)aziridine;1-(phenylethynyl)-aziridine;DTXSID20547462

Chemical Property of 1-(Phenylethynyl)aziridine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 143.073499291
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C#CC2=CC=CC=C2

Technology Process of 1-(Phenylethynyl)aziridine

There total 5 articles about 1-(Phenylethynyl)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: 15.0%

ethyleneimine (151-56-4,9002-98-6) + phenylacetylene (536-74-3) → 1,4-diphenyl-1,3-butadiyne (886-66-8) + 1-(phenylethynyl)aziridine (111512-93-7)

Guidance literature:

With oxygen; copper diacetate; In tetrahydrofuran; 1. 5 deg C, 30 min.; 2. 20 deg C, 2 h;

DOI:10.1007/BF00475469

Reference yield: 12.0%

ethyleneimine (151-56-4,9002-98-6) + phenylacetylene (536-74-3) → 1-(phenylethynyl)aziridine (111512-93-7) + (Z)-1-(1-Phenyl-2-phenylethynylvinyl)aziridine (111512-99-3) + (E)-1-(1-Phenyl-2-phenylethynylvinyl)aziridine (111513-00-9)

Guidance literature:

With oxygen; copper diacetate; Yields of byproduct given; 1) 0 deg C, 30 min; 2) 20 deg C, 48 h;

DOI:10.1007/BF00475469

Reference yield: 9.6%

ethyleneimine (151-56-4,9002-98-6) + phenylethynyl chloride (1483-82-5) → 1-(phenylethynyl)aziridine (111512-93-7)

Guidance literature:

With sodium hydroxide; benzyltri(n-butyl)ammonium chloride; In benzene; for 20h; Heating;

DOI:10.1007/BF00475469

upstream raw materials:

ethyleneimine

phenylethynyl chloride

phenylacetylene

Downstream raw materials:

1-(2-aziridinoethyl)-2-benzylimidazoline-2

Z-N₂-(2-aziridinoethyl)-N₁,N₁-ethylenephenylacetamidine

E-N₂-(2-aziridinoethyl)-N₁,N₁-ethylenephenylacetamidine

N₁,N₁-Dimethyl-N₂-(2-diethylaminomethyl)phenylacetamidine

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