N'-(4-fluorobenzylidene)isonicotinohydrazide

Base Information

• Chemical Name: N'-(4-fluorobenzylidene)isonicotinohydrazide
• CAS No.: 86189-87-9
• Molecular Formula: C13H10FN3O
• Molecular Weight: 243.24
• NSC Number: 322078
• ChEMBL ID: CHEMBL496992

Synonyms:86189-87-9;N'-(4-fluorobenzylidene)isonicotinohydrazide;Isonicotinoyl hydrazone of 4-fluorobenzaldehyde;NSC322078;NSC 322078;Isonicotinic acid (4-fluoro-benzylidene)-hydrazide;N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide;N//'-(4-Fluorobenzylidene)isonicotinohydrazide;N'-[(E)-(4-fluorophenyl)methylidene]pyridine-4-carbohydrazide;NSC-322078;MLS001202864;CHEMBL496992;SCHEMBL12443128;BDBM223073;STK166272;AKOS000667205;NCGC00245003-01;SMR000504827;N/'-(4-Fluorobenzylidene)isonicotinohydrazide;AG-690/10254030;(E)-N'-(4'-Fluorobenzylidene)isonicotinohydrazide (3c);N-[(E)-(4-fluorophenyl)methyleneamino]pyridine-4-carboxamide

Chemical Property of N'-(4-fluorobenzylidene)isonicotinohydrazide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.22g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.08079011
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)F
• Isomeric SMILES: C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)F

Technology Process of N'-(4-fluorobenzylidene)isonicotinohydrazide

There total 2 articles about N'-(4-fluorobenzylidene)isonicotinohydrazide 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: 94.0%

isoniazid (54-85-3,7640-37-1) + 4-fluorobenzaldehyde (459-57-4) → N’-(4-fluorobenzylidene)isonicotinohydrazide (86189-87-9)

Guidance literature:

In ethanol; water;

Reference yield:

pyridine-4-carboxylic acid (55-22-1) → N’-(4-fluorobenzylidene)isonicotinohydrazide (86189-87-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid / ethanol / 4 h / Reflux

1.2: 3 h / Reflux

2.1: acetic acid / ethanol / 3 h / Reflux

With sulfuric acid; acetic acid; In ethanol;

DOI:10.1590/S0103-50532013000100016

Reference yield: 96.0%

4-phenoxybutyl iodide (20549-72-8) + N’-(4-fluorobenzylidene)isonicotinohydrazide (86189-87-9) → 4-(2-(4-fluorobenzylidene)hydrazinecarbonyl)-1-(4-phenoxybutyl)pyridin-1-ium iodide

Guidance literature:

With sodium iodide; In acetonitrile; for 4h; Wavelength; Sonication; Green chemistry;

DOI:10.3390/molecules22111532

upstream raw materials:

isoniazid

4-fluorobenzaldehyde

pyridine-4-carboxylic acid

Downstream raw materials:

N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

N-[2-(4-Fluoro-phenyl)-1,1,4-trioxo-1λ⁶-thiazolidin-3-yl]-isonicotinamide

1-[2-(4-fluorophenyl)-5-(pyridine-4-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone

C₁₃H₈FN₃O

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