3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-

Base Information

• Chemical Name: 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-
• CAS No.: 101830-83-5
• Molecular Formula: C12H9 F2 N O3
• Molecular Weight: 253.205
• DSSTox Substance ID: DTXSID90144205
• Wikidata: Q83008318
• Mol file: 101830-83-5.mol

Synonyms:101830-83-5;3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-;1-Ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;SCHEMBL10383416;DTXSID90144205;1-Ethyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoli ne-3-carboxylic acid;BB 0241157

Chemical Property of 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-

Chemical Property:

• Vapor Pressure: 2.41E-06mmHg at 25°C
• Boiling Point: 376.7°Cat760mmHg
• Flash Point: 181.6°C
• Density: 1.46g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 253.05504947
• Heavy Atom Count: 18
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C(=O)C2=C1C(=CC(=C2)F)F)C(=O)O

Technology Process of 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo-

There total 1 articles about 3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-4-oxo- 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: 92.0%

6,8-difluoro-1,4-dihydro-1-ethyl-4-oxo-quinoline-3-carboxylic acid ethyl ester (101830-91-5) → 6,8-difluoro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (101830-83-5)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1002/jps.2600751214

Reference yield: 80.0%

1-(4-phenoxybutyl)piperazine (92493-11-3) + 6,8-difluoro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (101830-83-5) → 1-Ethyl-8-fluoro-4-oxo-6-[4-(4-phenoxy-butyl)-piperazin-1-yl]-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:

at 130 - 140 ℃; for 5h;

DOI:10.1002/jps.2600751214

Reference yield: 80.0%

6,8-difluoro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid (101830-83-5) + 1-(3-methoxy-benzyl)-piperazine (55212-32-3) → 1-Ethyl-8-fluoro-6-[4-(3-methoxy-benzyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Guidance literature:

at 130 - 140 ℃; for 5h;

DOI:10.1002/jps.2600751214

upstream raw materials:

6,8-difluoro-1,4-dihydro-1-ethyl-4-oxo-quinoline-3-carboxylic acid ethyl ester