N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide

Base Information

• Chemical Name: N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide
• CAS No.: 58581-42-3
• Molecular Formula: C16H15 N O3
• Molecular Weight: 269.3
• NSC Number: 269773
• Mol file: 58581-42-3.mol

Synonyms:NSC269773;58581-42-3;NSC-269773

Chemical Property of N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide

Chemical Property:

• Vapor Pressure: 6.97E-08mmHg at 25°C
• Boiling Point: 438.3°Cat760mmHg
• Flash Point: 187.5°C
• Density: 1.188g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 269.10519334
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C[N+](=CC2=CC=CC=C2)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)C/[N+](=C/C2=CC=CC=C2)/[O-]

Technology Process of N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide

There total 3 articles about N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide 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: 70.0%

N-Benzyliden(carboxy)methylamin-N-oxid (3884-90-0) + benzyl bromide (100-39-0) → N-benzylideneglycine N-oxide benzyl ester (58581-42-3)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 13h;

DOI:10.1139/v03-123

Reference yield:

(Z)-benzaldehyde oxime (622-32-2) → N-benzylideneglycine N-oxide benzyl ester (58581-42-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / Na / ethanol / 1 h / 70 °C

2: 70 percent / Et₃N / dimethylformamide / 13 h

With sodium; triethylamine; In ethanol; N,N-dimethyl-formamide;

DOI:10.1139/v03-123

Reference yield:

benzyl bromide (100-39-0) + N-benzyliden-N-oxy-glycine (3884-90-0) → C16H15NO3 (58581-42-3)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide;

DOI:10.1021/jo00874a004

upstream raw materials:

benzyl bromide

N-benzyliden-N-oxy-glycine

N-Benzyliden(carboxy)methylamin-N-oxid

(Z)-benzaldehyde oxime

Downstream raw materials:

1-(Benzyloxycarbonyl)-methylhydroxylamine

2-acetoxy-N-benzyloxycarbonylmethyl-N-hydroxy-succinamic acid

N-benzyloxycarbonylmethyl-N-hydroxy-succinamic acid

(5-iodomethyl-3-oxo-isoxazolidin-2-yl)-acetic acid benzyl ester