Product Name

  • Name

    ETHYL 6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLATE

  • EINECS
  • CAS No. 79660-46-1
  • Article Data16
  • CAS DataBase
  • Density 1.451 g/cm3
  • Solubility
  • Melting Point 275 °C (dec.)(lit.)
  • Formula C12H8F3NO3
  • Boiling Point 344.3 °C at 760 mmHg
  • Molecular Weight 271.196
  • Flash Point 162 °C
  • Transport Information
  • Appearance beige to beige-brown powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 79660-46-1 (ETHYL 6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLATE)
  • Hazard Symbols IrritantXi
  • Synonyms CycliccompoundofLomefloxacin;
  • PSA 59.16000
  • LogP 2.12210

Synthetic route

diethyl 2-((2,3,4-trifluorophenylamino)methylene)malonate
100501-60-8

diethyl 2-((2,3,4-trifluorophenylamino)methylene)malonate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
In diphenylether at 190℃; for 0.416667h; Microwave irradiation;85.7%
In various solvent(s) at 250℃; for 6h;83%
In diphenylether at 250℃; for 8h;77%
Ethyl 1--N-methylamino>-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
147694-57-3

Ethyl 1--N-methylamino>-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

A

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

B

Ethyl 3,3-bis(tert-butoxycarbonyl)-4,5-difluoro-2,3-dihydro-1-methyl-7-oxo-1H,7H-pyrido<3,2,1-i,j>cinnoline-8-carboxylate
147694-55-1

Ethyl 3,3-bis(tert-butoxycarbonyl)-4,5-difluoro-2,3-dihydro-1-methyl-7-oxo-1H,7H-pyrido<3,2,1-i,j>cinnoline-8-carboxylate

Conditions
ConditionsYield
With caesium carbonate In dimethyl sulfoxide at 80℃; for 4h;A 18%
B 50%
(5R,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-3-{N-[(Z)-2-ethoxycarbonyl-3-oxo-3-(2,3,4,5-tetrafluoro-phenyl)-propenyl]aminosulfanyl}-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester
143364-59-4, 143364-65-2

(5R,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-3-{N-[(Z)-2-ethoxycarbonyl-3-oxo-3-(2,3,4,5-tetrafluoro-phenyl)-propenyl]aminosulfanyl}-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester

A

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

B

C34H52N2O8S4Si2
143364-60-7

C34H52N2O8S4Si2

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran at 0℃;
2,3,4-trifluoroaniline
3862-73-5

2,3,4-trifluoroaniline

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 86 percent / 2 h / Heating
2: 83 percent / various solvent(s) / 6 h / 250 °C
View Scheme
Multi-step reaction with 2 steps
1: 115 - 120 °C / 30-60 min
2: Dowtherm A / 1 h / 250 °C
View Scheme
Multi-step reaction with 2 steps
1: 80 percent / 3 h / 120 - 130 °C
2: 66 percent / diphenyl ether / 1 h / 250 °C
View Scheme
diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

p-NH2-C6H4-COOR

p-NH2-C6H4-COOR

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 86 percent / 2 h / Heating
2: 83 percent / various solvent(s) / 6 h / 250 °C
View Scheme
diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

sodium compound of acetonedicarboxylic acid diethyl ester

sodium compound of acetonedicarboxylic acid diethyl ester

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 115 - 120 °C / 30-60 min
2: Dowtherm A / 1 h / 250 °C
View Scheme
3-(2,3,4,5-tetrafluorophenyl)-3-oxo-2-(ethoxymethylene)-propanoic acid ethyl ester
103995-33-1

3-(2,3,4,5-tetrafluorophenyl)-3-oxo-2-(ethoxymethylene)-propanoic acid ethyl ester

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 80 percent / CH2Cl2 / 336 h / Ambient temperature
2: NaH / tetrahydrofuran / 0 °C
View Scheme
diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

alkali

alkali

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 80 percent / 3 h / 120 - 130 °C
2: 66 percent / diphenyl ether / 1 h / 250 °C
View Scheme
diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 2 h / 110 - 120 °C
2: diphenylether / 8 h / 250 °C
View Scheme
Multi-step reaction with 2 steps
1: 2.5 h / 120 °C
2: diphenylether / Reflux
View Scheme
Multi-step reaction with 2 steps
1: neat (no solvent) / 2 h / 110 - 120 °C
2: diphenylether / 8 h / 250 °C
View Scheme
Multi-step reaction with 2 steps
1: toluene / 110 °C
2: diphenylether / 210 °C / Microwave irradiation
View Scheme
ethyl 3-{[1-(2-hydroxyethyl)cyclopentyl]amino}-2-(2,3,4,5-tetrafluorobenzoyl)acrylate
1132814-55-1

ethyl 3-{[1-(2-hydroxyethyl)cyclopentyl]amino}-2-(2,3,4,5-tetrafluorobenzoyl)acrylate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide at 90℃;
ethyl 2-(ethoxymethylene)-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate
94714-58-6

ethyl 2-(ethoxymethylene)-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: toluene / 2 h / 0 - 20 °C
2: sodium hydride / N,N-dimethyl-formamide / 90 °C
View Scheme
ethyl 3-(2,3,4,5-tetrafkuorophenyl)-3-oxopropanoate
94695-50-8

ethyl 3-(2,3,4,5-tetrafkuorophenyl)-3-oxopropanoate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: acetic anhydride / 3 h / 120 °C
2: toluene / 2 h / 0 - 20 °C
3: sodium hydride / N,N-dimethyl-formamide / 90 °C
View Scheme
2,3,4-trifluoroaniline
3862-73-5

2,3,4-trifluoroaniline

diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Stage #1: 2,3,4-trifluoroaniline; diethyl 2-ethoxymethylenemalonate at 110 - 120℃; for 2h; Gould-Jacobs Reaction;
Stage #2: In diphenylether at 250℃; for 6h; Gould-Jacobs Reaction;
1-chloro-2-(chloromethyl)benzene
611-19-8

1-chloro-2-(chloromethyl)benzene

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

1-(2-Chloro-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-33-2

1-(2-Chloro-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;98%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
93969-12-1, 151391-68-3

6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Conditions
ConditionsYield
Stage #1: ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate With sodium hydroxide; water for 14h; Heating / reflux;
Stage #2: Acidic aqueous solution;		97%
With sodium hydroxide for 14h; Reflux;97%
benzyl chloride
100-44-7

benzyl chloride

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-benzyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
214602-25-2

ethyl 1-benzyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;94%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

p-bromobenzyl chloride
589-17-3

p-bromobenzyl chloride

1-(4-Bromo-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-38-7

1-(4-Bromo-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;91%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

1-chloromethyl-4-fluorobenzene
352-11-4

1-chloromethyl-4-fluorobenzene

6,7,8-Trifluoro-1-(4-fluoro-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-31-0

6,7,8-Trifluoro-1-(4-fluoro-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;89%
1-Chloro-4-(chloromethyl)benzene
104-83-6

1-Chloro-4-(chloromethyl)benzene

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

1-(4-Chloro-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
155004-63-0

1-(4-Chloro-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;87%
2-fluorobenzyl chloride
345-35-7

2-fluorobenzyl chloride

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

6,7,8-Trifluoro-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-27-4

6,7,8-Trifluoro-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;86%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

m-fluorobenzyl chloride
456-42-8

m-fluorobenzyl chloride

6,7,8-Trifluoro-1-(3-fluoro-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-29-6

6,7,8-Trifluoro-1-(3-fluoro-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;85%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

4-Methylbenzyl chloride
104-82-5

4-Methylbenzyl chloride

6,7,8-Trifluoro-1-(4-methyl-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-40-1

6,7,8-Trifluoro-1-(4-methyl-benzyl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;84%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-amino-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate
100276-63-9

ethyl 1-amino-6,7,8-trifluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate

Conditions
ConditionsYield
With O-tosylhydroxylamine; potassium carbonate In dichloromethane; N,N-dimethyl-formamide at 25℃; for 24h;82%
With mesitylenesulfonylhydroxylamine; potassium carbonate In N,N-dimethyl-formamide at 20 - 25℃; amination;78%
With O-tosylhydroxylamine; potassium carbonate 1.) DMF, rt, 2 h, 2.) CH2Cl2; Yield given. Multistep reaction;
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

1-Chloro-3-chloromethyl-benzene
620-20-2

1-Chloro-3-chloromethyl-benzene

1-(3-Chloro-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
214602-35-4

1-(3-Chloro-benzyl)-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;80%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl iodide
75-03-6

ethyl iodide

ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
100501-62-0

ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 95℃; for 10h;76%
With potassium carbonate In N,N-dimethyl-formamide for 10h; Heating;53%
With potassium carbonate 1.) DMF; Multistep reaction;
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

4-bromomethyltrifluoromethylbenzene
402-49-3

4-bromomethyltrifluoromethylbenzene

ethyl-6,7,8-trifluoro-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylate
214602-42-3

ethyl-6,7,8-trifluoro-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Stage #1: ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h;
Stage #2: 4-bromomethyltrifluoromethylbenzene In N,N-dimethyl-formamide for 4h; Reflux;		72%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

4-trifluoromethylbenzyl chloride
939-99-1

4-trifluoromethylbenzyl chloride

ethyl-6,7,8-trifluoro-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylate
214602-42-3

ethyl-6,7,8-trifluoro-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; for 12h;66%
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

propargyl bromide
106-96-7

propargyl bromide

ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-1-(2-propynyl)quinoline-3-carboxylate
138826-27-4

ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxo-1-(2-propynyl)quinoline-3-carboxylate

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 70℃; for 6h;36%
diphenylmethyl bromoacetate
79287-72-2

diphenylmethyl bromoacetate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-(benzhydryloxy carbonyl)methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
136293-76-0

ethyl 1-(benzhydryloxy carbonyl)methyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Conditions
ConditionsYield
With sodium hydride 1) DMF, RT, 30 min, 2) 3.0h; Yield given. Multistep reaction;
benzhydryl 2-bromopropionate
136293-77-1

benzhydryl 2-bromopropionate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-<1-(benzhydryloxy carbonyl)ethyl>-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline carboxylate
136321-43-2

ethyl 1-<1-(benzhydryloxy carbonyl)ethyl>-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline carboxylate

Conditions
ConditionsYield
With sodium hydride 1) DMF, RT, 30 min, 2) 90 deg C, 5.0h; Yield given. Multistep reaction;
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethylene dibromide
106-93-4

ethylene dibromide

6,7,8-Trifluoro-4-oxo-1-vinyl-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
91188-95-3

6,7,8-Trifluoro-4-oxo-1-vinyl-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate 1.) DMF, 50 deg C, 30 min, 2.) 80 deg C, 48 h; Yield given. Multistep reaction;
triethyl phosphate
78-40-0

triethyl phosphate

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
100501-62-0

ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Conditions
ConditionsYield
With potassium carbonate at 190℃; for 1.5h; Yield given;
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 7-azide-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
929904-97-2

ethyl 7-azide-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 53 percent / potassium carbonate / dimethylformamide / 10 h / Heating
2: 83 percent / sodium azide / acetone; H2O / 6 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 10 h / 95 °C
2: sodium azide / N,N-dimethyl-formamide / 8 h
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 8 h / 80 - 90 °C
2: sodium azide / 60 °C
View Scheme
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-ethyl-7-(N'-pyrimidin-2-yl-hydrazino)-6,8-difluoroquinolone-3-carboxylate

ethyl 1-ethyl-7-(N'-pyrimidin-2-yl-hydrazino)-6,8-difluoroquinolone-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 53 percent / potassium carbonate / dimethylformamide / 10 h / Heating
2: 83 percent / sodium azide / acetone; H2O / 6 h / Heating
3: 50 percent / pyridine / 5 h / 50 °C
View Scheme
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 7-(2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ylamino)-1-ethyl-6,8-difluoroquinolone-3-carboxylate

ethyl 7-(2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ylamino)-1-ethyl-6,8-difluoroquinolone-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 53 percent / potassium carbonate / dimethylformamide / 10 h / Heating
2: 83 percent / sodium azide / acetone; H2O / 6 h / Heating
3: 51 percent / pyridine / 5 h / 50 °C
View Scheme
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 7-[N'-(5-amino-2H-1,2,4-triazol-3-yl)-hydrazino]-1-ethyl-6,8-difluoroquinolone-3-carboxylate

ethyl 7-[N'-(5-amino-2H-1,2,4-triazol-3-yl)-hydrazino]-1-ethyl-6,8-difluoroquinolone-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 53 percent / potassium carbonate / dimethylformamide / 10 h / Heating
2: 83 percent / sodium azide / acetone; H2O / 6 h / Heating
3: 57 percent / pyridine / 5 h / 50 °C
View Scheme
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 7-[N'-(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-hydrazino]-1-ethyl-6,8-difluoroquinolone-3-carboxylate

ethyl 7-[N'-(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-hydrazino]-1-ethyl-6,8-difluoroquinolone-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 53 percent / potassium carbonate / dimethylformamide / 10 h / Heating
2: 83 percent / sodium azide / acetone; H2O / 6 h / Heating
3: 56 percent / pyridine / 5 h / 50 °C
View Scheme
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
79660-46-1

ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

ethyl 1-ethyl-7-(5-fluoro-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ylamino)-6,8-difluoroquinolone-3-carboxylate

ethyl 1-ethyl-7-(5-fluoro-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ylamino)-6,8-difluoroquinolone-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 53 percent / potassium carbonate / dimethylformamide / 10 h / Heating
2: 83 percent / sodium azide / acetone; H2O / 6 h / Heating
3: 54 percent / pyridine / 5 h / 50 °C
View Scheme

3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester Specification

The 3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number of 79660-46-1, is also known as CycliccompoundofLomefloxacin. This chemical's molecular formula is C12H8F3NO3 and molecular weight is 271.19. What's more, its IUPAC name is Ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate. This chemical's classification code is Skin / Eye Irritant. Its systematic name is called Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate.

Physical properties about the 3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 199.49; (6)ACD/BCF (pH 7.4): 199.49; (7)ACD/KOC (pH 5.5): 1541.29; (8)ACD/KOC (pH 7.4): 1541.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.522; (14) Molar Refractivity: 57.07 cm3; (15)Molar Volume: 186.8 cm3; (16)Surface Tension: 42.7 dyne/cm; (17)Density: 1.451 g/cm3; (18)Flash Point: 162 °C; (19)Enthalpy of Vaporization: 58.82 kJ/mol; (20)Boiling Point: 344.3 °C at 760 mmHg; (21)Vapour Pressure: 6.67E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-[(2,3,4-Trifluoro-phenylamino)-methylene]-malonic acid diethyl ester. The reaction needs reagent Dowtherm A and solvent Diphenyl ether. The reaction time is 1.0 hour with reaction temperature of 250 ℃. The yield is about 66 %.

Uses: it can prepare 1-Amino-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester. The reaction needs reagents K2CO3 and O-(p-toluenesulfonyl)hydroxylamine. Its solvent is Dimethylformamide. The reaction time is 24 hours with reaction temperature of 25 ℃. The yield is about 82 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is rritating to eyes, respiratory system and skin. If it contacts with eyes, rinse immediately with plenty of water and seek medical advice. What's more, wear suitable protective clothing when you are using it.

You can still convert the following datas into molecular structure:
(1) SMILES:Fc2c(F)c(F)c1c(C(=O)\C(=C/N1)C(=O)OCC)c2
(2) InChI:InChI=1/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)
(3) InChIKey:ONQDAESGZUODFI-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 83, 1990.

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