N-(3-Nitrobenzylidene)-O-toluidine

Base Information

• Chemical Name: N-(3-Nitrobenzylidene)-O-toluidine
• CAS No.: 17064-93-6
• Molecular Formula: C₁₄H₁₂N₂O₂
• Molecular Weight: 240.261
• European Community (EC) Number: 653-039-6
• NSC Number: 157697
• DSSTox Substance ID: DTXSID00303280
• Mol file: 17064-93-6.mol

Synonyms:N-(3-Nitrobenzylidene)-O-toluidine;17064-93-6;N-(2-methylphenyl)-1-(3-nitrophenyl)methanimine;(3-Nitro-benzylidene)-o-tolyl-amine;NSC157697;2-methyl-N-(3-nitrobenzylidene)aniline;DTXSID00303280;ZTFAOAOMPKRDSY-XNTDXEJSSA-N;AKOS000575379;NSC-157697;AG-205/32712036;SR-01000319452;SR-01000319452-1;2-Methyl-N-[(E)-(3-nitrophenyl)methylidene]aniline #

Chemical Property of N-(3-Nitrobenzylidene)-O-toluidine

Chemical Property:

• Vapor Pressure: 8.06E-06mmHg at 25°C
• Boiling Point: 386.1°Cat760mmHg
• Flash Point: 187.3°C
• Density: 1.14g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.089877630
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N=CC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of N-(3-Nitrobenzylidene)-O-toluidine

There total 2 articles about N-(3-Nitrobenzylidene)-O-toluidine 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:

ethyl 2-(3-nitrophenylmethylene)-3-oxobutanoate (39562-16-8) + o-toluidine (95-53-4) → N-(3-nitrobenzylidene)-O-toluidine (17064-93-6,721428-10-0)

Guidance literature:

With ethanol; man zersetzt das gebildete unbestaendige Additionsprodukt mit Wasser;

Reference yield:

3-nitro-benzaldehyde (99-61-6) + o-toluidine (95-53-4) → N-(3-nitrobenzylidene)-O-toluidine (17064-93-6,721428-10-0)

Guidance literature:

Reference yield:

N-(3-nitrobenzylidene)-O-toluidine (17064-93-6,721428-10-0) + N-(4-nitrobenzylidene)-2-methylaniline (17064-68-5) + 2-Pentanone (107-87-9) → C26H25N3O5 + C26H25N3O5

Guidance literature:

With iodine; In acetonitrile; at 20 ℃; for 36h; stereoselective reaction;

DOI:10.1016/j.cclet.2011.12.008

upstream raw materials:

3-nitro-benzaldehyde

o-toluidine

ethyl 2-(3-nitrophenylmethylene)-3-oxobutanoate