Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide

Base Information

• Chemical Name: Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide
• CAS No.: 107044-94-0
• Molecular Formula: C₂₀H₁₇N₅O₅
• Molecular Weight: 407.385
• Mol file: 107044-94-0.mol

Synonyms:BRN 5652121;107044-94-0;Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide;4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)phenoxyacetic acid 3-nitrobenzylidenehydrazide;2-[4-[(Z)-(3-Methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

Chemical Property of Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 144.95000
• Density: 1.38g/cm³
• LogP: 3.08800
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 407.12296866
• Heavy Atom Count: 30
• Complexity: 749

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)C1=CC2=CC=C(C=C2)OCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]
• Isomeric SMILES: CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide

There total 3 articles about Acetic acid, (p-((3-methyl-5-oxo-2-pyrazolin-4-ylidene)methyl)phenoxy)-, (3-nitrobenzylidene)hydrazide 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: 55.0%

3-nitro-benzaldehyde (99-61-6) + 4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)-phenoxyacetic acid hydrazide (107045-08-9) → {4-[3-Methyl-5-oxo-1,5-dihydro-pyrazol-(4Z)-ylidenemethyl]-phenoxy}-acetic acid [1-(3-nitro-phenyl)-meth-(E)-ylidene]-hydrazide (107044-94-0)

Guidance literature:

With acetic acid; In ethanol; for 3h; Heating;

Reference yield:

ethyl 2-(4-formylphenoxy)acetate (51264-69-8) → {4-[3-Methyl-5-oxo-1,5-dihydro-pyrazol-(4Z)-ylidenemethyl]-phenoxy}-acetic acid [1-(3-nitro-phenyl)-meth-(E)-ylidene]-hydrazide (107044-94-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / piperidine / ethanol / 4 h / Heating

2: 70 percent / hydrazine hydrate / ethanol / 4 h / Heating

3: 55 percent / gl. acetic acid / ethanol / 3 h / Heating

With piperidine; hydrazine hydrate; acetic acid; In ethanol;

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → {4-[3-Methyl-5-oxo-1,5-dihydro-pyrazol-(4Z)-ylidenemethyl]-phenoxy}-acetic acid [1-(3-nitro-phenyl)-meth-(E)-ylidene]-hydrazide (107044-94-0)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / acetone / 10 h / Heating

2: 95 percent / piperidine / ethanol / 4 h / Heating

3: 70 percent / hydrazine hydrate / ethanol / 4 h / Heating

4: 55 percent / gl. acetic acid / ethanol / 3 h / Heating

With piperidine; potassium carbonate; hydrazine hydrate; acetic acid; In ethanol; acetone;

upstream raw materials:

3-nitro-benzaldehyde

4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)-phenoxyacetic acid hydrazide

ethyl 2-(4-formylphenoxy)acetate

4-hydroxy-benzaldehyde