1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester

Base Information

• Chemical Name: 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester
• CAS No.: 75643-51-5
• Molecular Formula: C23H19Cl2N3O3
• Molecular Weight: 456.3213
• NSC Number: 601682
• DSSTox Substance ID: DTXSID70226558
• Wikidata: Q83106016
• ChEMBL ID: CHEMBL418576

Synonyms:1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester;75643-51-5;NSC601682;CHEMBL418576;DTXSID70226558;NSC-601682

Chemical Property of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 3.51E-13mmHg at 25°C
• Boiling Point: 574°Cat760mmHg
• Flash Point: 301°C
• Density: 1.31g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 455.0803469
• Heavy Atom Count: 31
• Complexity: 785

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N

Technology Process of 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, ethyl ester

There total 1 articles about 1(6H)-Pyridazinebutanoic acid, 3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-, 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: 17.0%

5,6-bis(4-chlorophenyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile (75643-45-7) → 4-[3,4-Bis-(4-chloro-phenyl)-5-cyano-6-oxo-6H-pyridazin-1-yl]-butyric acid ethyl ester (75643-51-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 - 100 ℃; for 3h;

DOI:10.1021/jm00186a021

Reference yield: 29.0%

4-[3,4-Bis-(4-chloro-phenyl)-5-cyano-6-oxo-6H-pyridazin-1-yl]-butyric acid ethyl ester (75643-51-5) → 4-[4'-cyano-5',6'-bis(p-chlorophenyl)pyridazin-3'-one-2'-yl]butyric acid (75643-54-8)

Guidance literature:

With sodium carbonate; In ethanol; water; for 8h; Heating;

DOI:10.1021/jm00186a021

upstream raw materials:

5,6-bis(4-chlorophenyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile

Downstream raw materials:

4-[4'-cyano-5',6'-bis(p-chlorophenyl)pyridazin-3'-one-2'-yl]butyric acid

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