Benzenemethanamine, N-methylene-, N-oxide

Base Information

• Chemical Name: Benzenemethanamine, N-methylene-, N-oxide
• CAS No.: 74635-18-0
• Molecular Formula: C8H9NO
• Molecular Weight: 135.166
• DSSTox Substance ID: DTXSID70434792
• Nikkaji Number: J894.615I
• Wikidata: Q82249302
• Mol file: 74635-18-0.mol

Synonyms:Benzenemethanamine, N-methylene-, N-oxide;74635-18-0;N-benzyl nitrone;SCHEMBL486290;DTXSID70434792

Chemical Property of Benzenemethanamine, N-methylene-, N-oxide

Chemical Property:

• PSA: 28.75000
• LogP: 1.92070
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=[N+](CC1=CC=CC=C1)[O-]

Technology Process of Benzenemethanamine, N-methylene-, N-oxide

There total 6 articles about Benzenemethanamine, N-methylene-, N-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: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-benzyl hydroxylalmine (622-30-0) → N-benzylmethylene nitrone (74635-18-0)

Guidance literature:

In ethanol; for 1h;

DOI:10.1021/jo00002a045

Reference yield: 53.0%

N-benzyl-N-methylhydroxylamine (3555-72-4) → N-methyl-α-phenylnitrone (3376-23-6) + N-benzylmethylene nitrone (74635-18-0)

Guidance literature:

With 4a-hydroperoxy-5-ethyl-3-methyllumiflavin; In tert-butyl alcohol; at 30 ℃; Rate constant;

DOI:10.1021/ja00541a019

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-benzylhydroxylamine hydrochloride (29601-98-7) → N-benzylmethylene nitrone (74635-18-0)

Guidance literature:

With triethylamine; In toluene; at 70 ℃; for 1h;

DOI:10.1007/s11224-016-0755-4

upstream raw materials:

formaldehyd

N-benzyl hydroxylalmine

N-benzyl-N-methylhydroxylamine

benzyl-methyl-amine

Downstream raw materials:

N-[(R)-1-((S)-2-Benzyl-isoxazolidin-5-yl)-ethyl]-benzamide