2-Aziridinylphenylmethanone

Base Information

• Chemical Name: 2-Aziridinylphenylmethanone
• CAS No.: 6713-46-8
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.177
• DSSTox Substance ID: DTXSID301310411
• Mol file: 6713-46-8.mol

Synonyms:2-Aziridinylphenylmethanone;2-benzoylaziridine;SCHEMBL6567240;DTXSID301310411;AKOS006356263;6713-46-8

Chemical Property of 2-Aziridinylphenylmethanone

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N1)C(=O)C2=CC=CC=C2

Technology Process of 2-Aziridinylphenylmethanone

There total 4 articles about 2-Aziridinylphenylmethanone 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: 80.0%

2-azido-1-phenylprop-2-en-1-ol (1584143-89-4) → Benzoyl-2-aziridin (6713-46-8)

Guidance literature:

With potassium phosphate; In N,N-dimethyl-formamide; at 95 ℃; for 7h;

DOI:10.1002/anie.201310264

Reference yield: 78.0%

C9H8(2)HN3O (1624363-12-7) → Benzoyl-2-aziridin (6713-46-8)

Guidance literature:

With potassium phosphate; In N,N-dimethyl-formamide; at 95 ℃; for 7h;

DOI:10.1002/anie.201310264

Reference yield:

1-Phenyl-2-propyn-1-ol (4187-87-5) → Benzoyl-2-aziridin (6713-46-8)

Guidance literature:

Multi-step reaction with 2 steps

1: silver carbonate / dimethyl sulfoxide / 80 °C

2: potassium phosphate / N,N-dimethyl-formamide / 7 h / 95 °C

With potassium phosphate; silver carbonate; In dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1002/anie.201310264

upstream raw materials:

2-azido-1-phenylprop-2-en-1-ol

C₉H₈⁽²⁾HN₃O

1-Phenyl-2-propyn-1-ol

Downstream raw materials:

phenyl(1-tosylaziridin-2-yl)methanone

(R)-(S)-Aziridin-2-yl-phenyl-methanol

C₉H₁₁NO