4-[2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzenesulfonamide

Base Information

• Chemical Name: 4-[2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzenesulfonamide
• CAS No.: 57857-01-9
• Molecular Formula: C₁₀H₁₁N₅O₃S
• Molecular Weight: 281.295
• DSSTox Substance ID: DTXSID901130320
• ChEMBL ID: CHEMBL1355007
• Mol file: 57857-01-9.mol

Synonyms:4-[2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzenesulfonamide;MLS001180102;SMR000477098;4-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzenesulfonamide;CHEMBL1355007;BDBM53035;cid_5349084;DTXSID901130320;HMS2787A20;STK086925;AKOS000488772;AKOS005156535;AN-329/40543633;SR-01000230254;SR-01000230254-1;4-[(3-methyl-5-oxo-4-pyrazolyl)hydrazo]benzenesulfonamide;4-[N''-(3-keto-5-methyl-pyrazol-4-yl)hydrazino]benzenesulfonamide;4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide;4-[2-(3-methyl-5-oxidanylidene-pyrazol-4-yl)hydrazinyl]benzenesulfonamide;4-[(2Z)-2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzenesulfonamide;4-[2-(1,5-Dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)hydrazinyl]benzenesulfonamide;57857-01-9

Chemical Property of 4-[2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzenesulfonamide

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 281.05826040
• Heavy Atom Count: 19
• Complexity: 526

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)NN1)N=NC2=CC=C(C=C2)S(=O)(=O)N

Technology Process of 4-[2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzenesulfonamide

There total 5 articles about 4-[2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzenesulfonamide 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: 74.0%

3-oxo-2-[(4-sulfamoylphenyl)hydrazono]butyric acid ethyl ester (34582-86-0) → 4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)hydrazin-1-yl]benzenesulfonamide (57857-01-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 4h; Reflux;

DOI:10.1016/j.bioorg.2018.03.011

Reference yield:

sulfanilamide (63-74-1) + 3-methyl-2-pyrazoline-5-one (108-26-9) → 4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)hydrazin-1-yl]benzenesulfonamide (57857-01-9)

Guidance literature:

sulfanilamide; With hydrogenchloride; sodium nitrite; In water; Cooling with ice;

3-methyl-2-pyrazoline-5-one; With ethanol; sodium acetate; In water; at 0 - 5 ℃; for 1h;

DOI:10.1080/14756366.2020.1791842

Reference yield:

sulfanilamide (63-74-1) → 4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene)hydrazin-1-yl]benzenesulfonamide (57857-01-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium nitrite; hydrogenchloride / water / 0 °C

1.2: 0 °C

2.1: acetic acid; hydrazine hydrate / 4 h / Reflux

With hydrogenchloride; hydrazine hydrate; acetic acid; sodium nitrite; In water;

DOI:10.4314/bcse.v26i3.15

upstream raw materials:

3-oxo-2-[(4-sulfamoylphenyl)hydrazono]butyric acid ethyl ester

sulfanilamide

3-methyl-2-pyrazoline-5-one