Acetic Acid, ((4-(aminosulfonyl)phenyl)hydrazono)chloro-, Ethyl Ester

Base Information

• Chemical Name: Acetic Acid, ((4-(aminosulfonyl)phenyl)hydrazono)chloro-, Ethyl Ester
• CAS No.: 96722-53-1
• Molecular Formula: C10H12 Cl N3 O4 S
• Molecular Weight: 305.742

Synonyms:Acetic Acid, ((4-(aminosulfonyl)phenyl)hydrazono)chloro-, Ethyl Ester;2-chloro-2-(4'-aminosulfonylphenylhydrazono)acetic acid ethyl ester;96722-53-1;BP-12174

Chemical Property of Acetic Acid, ((4-(aminosulfonyl)phenyl)hydrazono)chloro-, Ethyl Ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 461.7°Cat760mmHg
• Flash Point: 233°C
• PSA: 119.23000
• Density: 1.49g/cm³
• LogP: 2.71540
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 305.0237047
• Heavy Atom Count: 19
• Complexity: 438

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)S(=O)(=O)N)Cl
• Isomeric SMILES: CCOC(=O)/C(=N/NC1=CC=C(C=C1)S(=O)(=O)N)/Cl

Technology Process of Acetic Acid, ((4-(aminosulfonyl)phenyl)hydrazono)chloro-, Ethyl Ester

There total 1 articles about Acetic Acid, ((4-(aminosulfonyl)phenyl)hydrazono)chloro-, Ethyl Ester 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: 72.0%

sulfanilamide (63-74-1) + ethyl 2-chloro-3-oxo-butyrate (609-15-4) → C10H12ClN3O4S (96722-53-1)

Guidance literature:

sulfanilamide; With hydrogenchloride; sodium nitrite;

ethyl 2-chloro-3-oxo-butyrate; With sodium acetate; at 0 ℃;

DOI:10.1016/j.bmc.2017.02.037

Reference yield: 83.0%

diethyl benzoylmethylphosphonate (3453-00-7) + C10H12ClN3O4S (96722-53-1) → 5-phenyl-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylic acid ethyl ester (781663-70-5)

Guidance literature:

With lithium hydroxide; In 1,2-dimethoxyethane; at 20 ℃; for 10h; regioselective reaction;

DOI:10.1016/j.tetlet.2013.12.045

Reference yield: 72.0%

5-(4-nitrophenyl)-7-(thiophen-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one + C10H12ClN3O4S (96722-53-1) → ethyl 6-(4-nitrophenyl)-5-oxo-1-(4-sulfamoylphenyl)-8-(thiophen-2-yl)-1,5-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

Guidance literature:

With triethylamine; In 1,4-dioxane; Reflux;

DOI:10.1016/j.bmc.2017.02.037

upstream raw materials:

sulfanilamide

ethyl 2-chloro-3-oxo-butyrate

Downstream raw materials:

3-[3-(4-difluoromethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-sulfamoylphenyl)-2,3,5,6-tetrahydro-8H-1,2,4-triazolo[3,4-c][1,4]oxazin-8-one

ethyl 5-oxo-6-phenyl-1-(4-sulfamoylphenyl)-8-(thiophen-2-yl)-1,5-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

5-phenyl-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylic acid ethyl ester

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