4-nitro-N-[(E)-propylideneamino]benzamide

Base Information

• Chemical Name: 4-nitro-N-[(E)-propylideneamino]benzamide
• CAS No.: 7462-07-9
• Molecular Formula: C10H11N3O3
• Molecular Weight: 221.216
• DSSTox Substance ID: DTXSID40430428
• NSC Number: 404145
• Mol file: 7462-07-9.mol

Synonyms:NSC404145;7462-07-9;DTXSID40430428;AKOS003577989;NSC-404145

Chemical Property of 4-nitro-N-[(E)-propylideneamino]benzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.25g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.08004122
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
• Isomeric SMILES: CC/C=N/NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 4-nitro-N-[(E)-propylideneamino]benzamide

There total 3 articles about 4-nitro-N-[(E)-propylideneamino]benzamide 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:

propionaldehyde (123-38-6) + N-amino-(4-nitrophenyl)carboxamide (636-97-5) → (E)-N’-(2-propylidene)-4-nitrobenzohydrazide (7462-07-9) + (Z)-N’-(2-propylidene)-4-nitrobenzohydrazide

Guidance literature:

In dichloromethane; at 20 ℃; for 24h; Overall yield = 47 percent; Overall yield = 0.52 g; Enzymatic reaction;

DOI:10.1002/chem.202000232

Reference yield:

ethyl 4-nitrobenzoate (99-77-4) → (E)-N’-(2-propylidene)-4-nitrobenzohydrazide (7462-07-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; aqueous hydrazine hydrate

With ethanol; hydrazine hydrate;

Reference yield:

propionaldehyde (123-38-6) + N-amino-(4-nitrophenyl)carboxamide (636-97-5) → (E)-N’-(2-propylidene)-4-nitrobenzohydrazide (7462-07-9)

Guidance literature:

upstream raw materials:

propionaldehyde

N-amino-(4-nitrophenyl)carboxamide

ethyl 4-nitrobenzoate

Downstream raw materials:

C₁₁H₁₂N₄O₃

C₁₁H₁₂N₄O₃