Phenyl-N-methylaziridine

Base Information

• Chemical Name: Phenyl-N-methylaziridine
• CAS No.: 4164-25-4
• Molecular Formula: C9H11N
• Molecular Weight: 133.193
• DSSTox Substance ID: DTXSID40961868
• Nikkaji Number: J2.163.329A
• Mol file: 4164-25-4.mol

Synonyms:1-methyl-2-phenylaziridine;Phenyl-N-methylaziridine;4164-25-4;Aziridine, 1-methyl-2-phenyl-;SCHEMBL1070651;DTXSID40961868

Chemical Property of Phenyl-N-methylaziridine

Chemical Property:

• Vapor Pressure: 0.803mmHg at 25°C
• Boiling Point: 182.6°Cat760mmHg
• Flash Point: 56.8°C
• Density: 1.036g/cm³
• XLogP3: 1.6
• 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:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC1C2=CC=CC=C2

Technology Process of Phenyl-N-methylaziridine

There total 14 articles about Phenyl-N-methylaziridine 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-bromo-1-phenylethyl)dimethylsulphonium bromide (75326-15-7) + methylamine (74-89-5) → 1-methyl-2-phenylaziridine (4164-25-4)

Guidance literature:

In water;

DOI:10.1039/c39800000521

Reference yield: 73.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + methylamine (74-89-5) → 1-methyl-2-phenylaziridine (4164-25-4)

Guidance literature:

With ammonium iodide; sodium hypochlorite; In water; at 20 ℃; for 2h; Product distribution / selectivity;

Reference yield: 59.0%

PhB(tBuIm)3Fe-N(CH2CH(C6H5)) + methyl iodide (74-88-4) → 1-methyl-2-phenylaziridine (4164-25-4)

Guidance literature:

In benzene-d6; at 65 ℃; for 36h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;

DOI:10.1002/anie.201503773

upstream raw materials:

3-methyl-2-phenyl-oxazolidine

(2-bromo-1-phenylethyl)dimethylsulphonium bromide

methylamine

S-(dimethylamino)-S-phenyl(trans-2-phenyleth-1-enyl)oxosulfonium fluoroborate

Downstream raw materials:

1,2-dimethyl-2-phenyl-aziridine

C₁₁H₁₅N

(R)-3-methyl-4-phenyl-1,3-oxazolidine-2-one

2,5-diphenyl-1,4-dimethylpiperazine