1-(4-Chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid
• CAS No.: 130561-48-7
• Molecular Formula: C18H15 Cl N2 O5
• Molecular Weight: 374.78
• European Community (EC) Number: 603-426-0,921-066-5
• UNII: GV4LS2L3UC
• DSSTox Substance ID: DTXSID701020179
• Nikkaji Number: J639.429I
• Mol file: 130561-48-7.mol

Synonyms:130561-48-7;Sintofen;Cintofen;3-Cinnolinecarboxylic acid, 1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-;Achor;1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid;1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid;Sintofen [ISO];1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid;1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid;1-(4-Chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid;SC 2053;CROISOR;Croisor 100;SCHEMBL124027;CHEBI:133130;QLMNCUHSDAGQGT-UHFFFAOYSA-N;DTXSID701020179;AKOS026745427;Sintofen 100 microg/mL in Acetonitrile;AS-74066;1-(4'-chlorophenyl)-1,4-dihydro-5-methoxyethoxy-4-oxo-cinnoline-3-carboxylic acid;1-(p-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid;1-(p-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid;1-(p-chlorophenyl)-5-(2-methoxyethoxy)-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid

Chemical Property of 1-(4-Chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 589.5°Cat760mmHg
• PKA: 0.16±0.20(Predicted)
• Flash Point: 310.3°C
• PSA: 90.65000
• Density: 1.41g/cm³
• LogP: 2.76250
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 374.0669493
• Heavy Atom Count: 26
• Complexity: 562

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

Technology Process of 1-(4-Chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid

There total 1 articles about 1-(4-Chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxo-3-cinnolinecarboxylic acid 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:

methyl 1-(4'-chlorophenyl)-5-chloro-1,4-dihydro-4-oxo-cinnoline-3-carboxylate + methyl phenylcinnoline-carboxylate → 1-(4-chlorophenyl)-1,4-dihydro-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid (130561-48-7)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In 2-methoxy-ethanol; water;

Refernces

• 1、 -. "Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation". . . Retrieved 2008/06/13.