4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, (phenylmethylene)hydrazide

Base Information

• Chemical Name: 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, (phenylmethylene)hydrazide
• CAS No.: 160857-58-9
• Molecular Formula: C₂₁H₂₃N₅O₄S
• Molecular Weight: 441.511
• Mol file: 160857-58-9.mol

Synonyms:160857-58-9;4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, (phenylmethylene)hydrazide;C21H23N5O4S;C21-H23-N5-O4-S;LS-131030

Chemical Property of 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, (phenylmethylene)hydrazide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.34g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 441.14707541
• Heavy Atom Count: 31
• Complexity: 791

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C(=O)NN=CC3=CC=CC=C3
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C(=O)N/N=C/C3=CC=CC=C3

Technology Process of 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, (phenylmethylene)hydrazide

There total 4 articles about 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, (phenylmethylene)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:

p-acetylamino-N-<4-methoxycarbonyl-1.2.5.6-tetrahydro-1-pyridyl>benzenesulphonamide (160857-54-5) → N-(4-{4-[1-Phenyl-meth-(E)-ylidene-hydrazinocarbonyl]-3,6-dihydro-2H-pyridin-1-ylsulfamoyl}-phenyl)-acetamide (160857-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 34 percent / hydrazine hydrate (99percent) / 5 h

2: glacid acetic acid / methanol / Heating

With hydrazine hydrate; acetic acid; In methanol;

Reference yield:

4-methoxycarbonyl-1-pyridinium ylide (160857-53-4) → N-(4-{4-[1-Phenyl-meth-(E)-ylidene-hydrazinocarbonyl]-3,6-dihydro-2H-pyridin-1-ylsulfamoyl}-phenyl)-acetamide (160857-58-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 67 percent / sodium borohydride / ethanol / 12 h

2: 34 percent / hydrazine hydrate (99percent) / 5 h

3: glacid acetic acid / methanol / Heating

With sodium tetrahydroborate; hydrazine hydrate; acetic acid; In methanol; ethanol;

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-(4-{4-[1-Phenyl-meth-(E)-ylidene-hydrazinocarbonyl]-3,6-dihydro-2H-pyridin-1-ylsulfamoyl}-phenyl)-acetamide (160857-58-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 41 percent / 10percent aqueous sodium hydroxide / 96 h / Ambient temperature

2: 67 percent / sodium borohydride / ethanol / 12 h

3: 34 percent / hydrazine hydrate (99percent) / 5 h

4: glacid acetic acid / methanol / Heating

With sodium hydroxide; sodium tetrahydroborate; hydrazine hydrate; acetic acid; In methanol; ethanol;

upstream raw materials:

benzaldehyde

p-acetylamino-N-<4-(hydrazinocarbonyl)-1,2,5,6-tetrahydro-1-pyridyl>benzenesulphonamide

p-acetylamino-N-<4-methoxycarbonyl-1.2.5.6-tetrahydro-1-pyridyl>benzenesulphonamide

4-methoxycarbonyl-1-pyridinium ylide

Downstream raw materials:

N-{4-[4-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-ylsulfamoyl]-phenyl}-acetamide