Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
• CAS No.: 172602-83-4
• Molecular Formula: C17H17F2NO4
• Molecular Weight: 337.3179864
• UNII: 554JL5L6LZ
• Mol file: 172602-83-4.mol

Synonyms:172602-83-4;Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate;1-Cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester;ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxoquinoline-3-carboxylate;Moxifloxacin Impurity 10;554JL5L6LZ;C17H17F2NO4;BCP34200;XGA60283;SB72392;BS-51254;E84359;Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate;Ethyl1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate;1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-ethoxy-4-oxo-3-quinoline carboxylic acid ethyl ester;3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester

Chemical Property of Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Chemical Property:

• PSA: 57.53000
• LogP: 3.19000
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 337.11256435
• Heavy Atom Count: 24
• Complexity: 549

Purity/Quality:

99%, ^*data from raw suppliers

1-Cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)OCC
• Uses: 1-Cyclopropyl-8-ethoxy-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester is used in the preparation of alkoxyquinolone antibacterial agents. Also an impurity in the synthesis of Moxifloxacin (M745000), a fluorinated quinolone antibacterial.

Technology Process of Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

There total 7 articles about Ethyl 1-cyclopropyl-8-ethoxy-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-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:

(Z)-3-Cyclopropylamino-2-(3-ethoxy-2,4,5-trifluoro-benzoyl)-acrylic acid ethyl ester (1027303-55-4) → ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-ethoxy-4-oxo-3-quinolinecarboxylate (172602-83-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 5h; Yield given; Ambient temperature;

DOI:10.1021/jm00022a013

Reference yield:

2,4,5-trifluoro-3-hydroxybenzoic acid (116751-24-7) → ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-ethoxy-4-oxo-3-quinolinecarboxylate (172602-83-4)

Guidance literature:

Multi-step reaction with 7 steps

1: 92 percent / NaH / dimethylformamide / 18 h

2: 79 percent / 1.0 N aq. NaOH / methanol / 3 h / Ambient temperature

3: oxalyl chloride, DMF / CH₂Cl₂ / 18 h / Ambient temperature

4: 1.) n-BuLi, 2,2'-bipyridyl / 1.) THF, hexane, from -20 deg C to -5 deg C, 2.) THF, hexane, -30 deg C, 2 h

5: acetic anhydride / 18 h / Heating

6: ethanol / 18 h

7: NaH / tetrahydrofuran / 5 h / Ambient temperature

With [2,2]bipyridinyl; sodium hydroxide; n-butyllithium; oxalyl dichloride; acetic anhydride; sodium hydride; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm00022a013

Reference yield:

3-ethoxy-2,4,5-trifluorobenzoyl chloride (172602-81-2) → ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-ethoxy-4-oxo-3-quinolinecarboxylate (172602-83-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) n-BuLi, 2,2'-bipyridyl / 1.) THF, hexane, from -20 deg C to -5 deg C, 2.) THF, hexane, -30 deg C, 2 h

2: acetic anhydride / 18 h / Heating

3: ethanol / 18 h

4: NaH / tetrahydrofuran / 5 h / Ambient temperature

With [2,2]bipyridinyl; n-butyllithium; acetic anhydride; sodium hydride; In tetrahydrofuran; ethanol;

DOI:10.1021/jm00022a013

upstream raw materials:

(Z)-3-Cyclopropylamino-2-(3-ethoxy-2,4,5-trifluoro-benzoyl)-acrylic acid ethyl ester

2,4,5-trifluoro-3-hydroxybenzoic acid

3-ethoxy-2,4,5-trifluorobenzoyl chloride

3-ethoxy-2,4,5-trifluorobenzoic acid

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