Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate
• CAS No.: 145865-71-0
• Molecular Formula: C₁₄H₁₃N₅O₄S
• Molecular Weight: 347.354
• Mol file: 145865-71-0.mol

Synonyms:Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid, 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-, ethyl ester;145865-71-0;LS-128308

Chemical Property of Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 627.8°Cat760mmHg
• Flash Point: 333.5°C
• Density: 1.44g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 347.06882509
• Heavy Atom Count: 24
• Complexity: 613

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NN=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)C#N
• Isomeric SMILES: CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N

Technology Process of Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate

There total 2 articles about Ethyl 3-((((4-cyanophenyl)methylene)hydrazino)sulfonyl)-1H-pyrazole-4-carboxylate 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: 93.0%

3-hydrazinosulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester (115703-23-6) + 4-cyanobenzaldehyde (105-07-7) → C14H13N5O4S (145865-71-0)

Guidance literature:

In methanol; Heating;

Reference yield:

3-chlorosulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester (115703-22-5) → C14H13N5O4S (145865-71-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / 98percent hydrazine hydrate, triethylamine / ethanol / 2 h / 0 °C

2: 93 percent / methanol / Heating

With hydrazine hydrate; triethylamine; In methanol; ethanol;

upstream raw materials:

3-hydrazinosulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester

4-cyanobenzaldehyde

3-chlorosulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester