N-(3-Nitrobenzylidene)methanamine

Base Information

• Chemical Name: N-(3-Nitrobenzylidene)methanamine
• CAS No.: 121004-44-2
• Molecular Formula: C8H8N2O2
• Molecular Weight: 164.164
• DSSTox Substance ID: DTXSID70550789
• Mol file: 121004-44-2.mol

Synonyms:N-(3-NITROBENZYLIDENE)METHANAMINE;121004-44-2;N-methyl-1-(3-nitrophenyl)methanimine;methyl(3-nitrobenzylidene)amine;SCHEMBL16699062;SCHEMBL16699063;DTXSID70550789;UCKLBPWHNHJTNH-UHFFFAOYSA-N;N-(3-nitrobenzylidene)-methyl-amine;AKOS006279153;(E)-N-Methyl-1-(3-nitrophenyl)methanimine;METHYL[(3-NITROPHENYL)METHYLIDENE]AMINE;EN300-18629817;1637328-18-7

Chemical Property of N-(3-Nitrobenzylidene)methanamine

Chemical Property:

• Melting Point: 55.1-55.8 °C
• Boiling Point: 274.8±23.0 °C(Predicted)
• PKA: 3.44±0.50(Predicted)
• PSA: 58.18000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 2.16670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 164.058577502
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

N-(3-NITROBENZYLIDENE)METHANAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-(3-Nitrobenzylidene)methanamine

There total 9 articles about N-(3-Nitrobenzylidene)methanamine 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: 100.0%

3-nitro-benzaldehyde (99-61-6) + methylamine (74-89-5) → N-methyl-1-(3-nitrophenyl)methanimine (121004-44-2)

Guidance literature:

at 20 ℃; for 12h;

DOI:10.1055/s-0029-1218796

Reference yield: 97.0%

3-nitro-benzaldehyde (99-61-6) + methylammonium N-methylcarbamate (65398-48-3) → N-methyl-1-(3-nitrophenyl)methanimine (121004-44-2)

Guidance literature:

In neat (no solvent); at 25 ℃; for 3h; Inert atmosphere; Green chemistry;

DOI:10.1039/d0ra07814j

Reference yield: 94.0%

methylamine hydrochloride (593-51-1) + 3-nitro-benzaldehyde (99-61-6) → N-methyl-1-(3-nitrophenyl)methanimine (121004-44-2)

Guidance literature:

With 1,1'-(1,4-butanediyl)bis(imidazole); In neat (no solvent); at 20 ℃; for 10h; Milling;

DOI:10.1071/CH18408

upstream raw materials:

N-Chloro-N-methyl-m-nitrobenzylamin

3-nitro-benzaldehyde

methylamine

C₈H₉BrN₂O₂

Downstream raw materials:

methyl-(3-nitro-benzyl)-amine

C₁₂H₁₁N₃O₃

3-nitro-benzaldehyde

methylamine