- 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-
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- 3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
- 3-Quinolinecarboxylicacid, 2-(chloromethyl)-4-phenyl-, ethyl ester
- 3-Quinolinecarboxylicacid, 2-(trifluoromethyl)-
- 3-Quinolinecarboxylicacid, 2-chloro-
- 3-Quinolinecarboxylicacid, 2-methyl-
- 3-Quinolinecarboxylicacid, 4,6-dichloro-2-(methylthio)-, ethyl ester
- 3-Quinolinecarboxylicacid, 4-amino-
- 3-Quinolinecarboxylicacid, 4-chloro-, ethyl ester
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Cas Database |
| Name |
3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester |
EINECS | N/A |
| CAS No. | 79660-46-1 | Density | 1.451 g/cm3 |
| PSA | 59.16000 | LogP | 2.12210 |
| Solubility | N/A | 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 | N/A | Appearance | beige to beige-brown powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
CycliccompoundofLomefloxacin; |
Article Data | 16 |
3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester Synthetic route
- 100501-60-8
diethyl 2-((2,3,4-trifluorophenylamino)methylene)malonate
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| 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% |
- 147694-57-3
Ethyl 1--N-methylamino>-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
A
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
B
- 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 | Yield |
|---|---|
| With caesium carbonate In dimethyl sulfoxide at 80℃; for 4h; | A 18% B 50% |
- 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
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
B
- 143364-60-7
C34H52N2O8S4Si2
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran at 0℃; |
- 3862-73-5
2,3,4-trifluoroaniline
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| 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 |
- 87-13-8
diethyl 2-ethoxymethylenemalonate
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 86 percent / 2 h / Heating 2: 83 percent / various solvent(s) / 6 h / 250 °C View Scheme |
- 87-13-8
diethyl 2-ethoxymethylenemalonate
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 115 - 120 °C / 30-60 min 2: Dowtherm A / 1 h / 250 °C View Scheme |
- 103995-33-1
3-(2,3,4,5-tetrafluorophenyl)-3-oxo-2-(ethoxymethylene)-propanoic acid ethyl ester
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / CH2Cl2 / 336 h / Ambient temperature 2: NaH / tetrahydrofuran / 0 °C View Scheme |
- 87-13-8
diethyl 2-ethoxymethylenemalonate
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| 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 |
- 87-13-8
diethyl 2-ethoxymethylenemalonate
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| 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 |
- 1132814-55-1
ethyl 3-{[1-(2-hydroxyethyl)cyclopentyl]amino}-2-(2,3,4,5-tetrafluorobenzoyl)acrylate
- 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 90℃; |
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 %.
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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 %.
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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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