2-Methyl-1-phenylaziridine

Base Information

• Chemical Name: 2-Methyl-1-phenylaziridine
• CAS No.: 102879-24-3
• Molecular Formula: C9H11N
• Molecular Weight: 133.193
• DSSTox Substance ID: DTXSID60692905
• Nikkaji Number: J592.187B
• Mol file: 102879-24-3.mol

Synonyms:2-Methyl-1-phenylaziridine;102879-24-3;1-Phenyl-2-methylaziridine;SCHEMBL1071244;DTXSID60692905

Chemical Property of 2-Methyl-1-phenylaziridine

Chemical Property:

• Boiling Point: 204.6±9.0 °C(Predicted)
• PKA: 5.96±0.20(Predicted)
• PSA: 3.01000
• Density: 1.036±0.06 g/cm3(Predicted)
• LogP: 1.96010
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 133.089149355
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN1C2=CC=CC=C2

Technology Process of 2-Methyl-1-phenylaziridine

There total 3 articles about 2-Methyl-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: 53.0%

diethyl phenylphosphoramidate (1445-38-1) + methyloxirane (75-56-9,16033-71-9) → 2-methyl-N-phenylaziridine (102879-24-3)

Guidance literature:

With n-butyllithium; In 1,2-dimethoxyethane; at 23 - 70 ℃; for 18h;

DOI:10.1016/j.tetlet.2014.08.009

Reference yield:

2-chloro-N-phenylpropanamide (21262-52-2) → 2-methyl-N-phenylaziridine (102879-24-3) + 2-anilino-1-propanol (16955-09-2) + N-propylaniline (622-80-0) + N-Isopropylaniline (768-52-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Inert atmosphere; Cooling with ice; Reflux;

DOI:10.1039/b800039e

Reference yield:

→ 2-methyl-N-phenylaziridine (102879-24-3)

Guidance literature:

Verb. Vc, Quecksilber-photosensitivierte Bestrahlung;

DOI:10.1016/S0040-4039(01)98395-9

upstream raw materials:

2-chloro-N-phenylpropanamide

diethyl phenylphosphoramidate

methyloxirane

Downstream raw materials:

5-methyl-3-phenyl-oxazolidin-2-one

4-methyl-3-phenyl-1,3-oxazolidine-2-one

2,5-Dimethyl-1,4-diphenyl-piperazine

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