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Name	1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid	EINECS	214-439-2
CAS No.	112811-72-0	Density	1.174 g/cm³
PSA	68.53000	LogP	2.32140
Solubility	N/A	Melting Point	192-194 ºC
Formula	C₁₄H₁₁F₂NO₄	Boiling Point	245.2 ºC at 760 mmHg
Molecular Weight	295.242	Flash Point	102.1 ºC
Transport Information	N/A	Appearance	off-white to light-yellow powder
Safety	24/25	Risk Codes	22
Molecular Structure		Hazard Symbols	Xn
Synonyms	1-Cyclopropyl-1,4-dihydro-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylicacid;1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylicacid;1-Cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylicacid;1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid;1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinolin-3-carboxylicacid;1-Cyclopropyl-6,7-difluoro-8-methoxy-4-quinolone-3-carboxylic acid;3-Quinolinecarboxylicacid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-;	Article Data	12

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Synthetic route

: 112811-71-9
ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 65℃; for 15h; Solvent; Temperature;	96.83%
With sulfuric acid; acetic acid In water for 2h; Reflux;	95.92%
With hydrogenchloride for 3h; Heating;	90%

: 154093-72-8
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinoline carboxylic acid

: 77-78-1
dimethyl sulfate

A: 141290-02-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid methyl ester

B: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With potassium chloride In acetone Product distribution / selectivity; Heating / reflux;

: 141290-02-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid methyl ester

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With water; potassium carbonate for 0.5h; Product distribution / selectivity; Heating / reflux;

: 112811-70-8
ethyl 3-(cyclopropylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)acrylate

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With sodium fluoride In N,N-dimethyl-formamide
Multi-step reaction with 2 steps 1: sodiumfluoride / N,N-dimethyl-formamide / 5 h 2: sulfuric acid; water / acetic acid / 1 h View Scheme

: 112811-64-0
2,4,5-trifluoro-3-methoxy-benzamide

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: sulfuric acid / 3.5 h / 100 °C 2: thionyl chloride / 3 h 3: magnesium ethylate / toluene 4: toluene-4-sulfonic acid / water / 9 h 5: acetic anhydride / 11 h 6: ethanol / 2 h / 20 °C 7: sodiumfluoride / N,N-dimethyl-formamide / 5 h 8: sulfuric acid; water / acetic acid / 1 h View Scheme

: 112811-63-9
3-methoxy-2,4,5-trifluorobenzonitrile

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1: sulfuric acid; water / 1 h / 110 °C 2: sulfuric acid / 3.5 h / 100 °C 3: thionyl chloride / 3 h 4: magnesium ethylate / toluene 5: toluene-4-sulfonic acid / water / 9 h 6: acetic anhydride / 11 h 7: ethanol / 2 h / 20 °C 8: sodiumfluoride / N,N-dimethyl-formamide / 5 h 9: sulfuric acid; water / acetic acid / 1 h View Scheme

: 112811-67-3
diethyl 3-methoxy-2,4,5-trifluorobenzoylmalonate

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: toluene-4-sulfonic acid / water / 9 h 2: acetic anhydride / 11 h 3: ethanol / 2 h / 20 °C 4: sodiumfluoride / N,N-dimethyl-formamide / 5 h 5: sulfuric acid; water / acetic acid / 1 h View Scheme

: 13332-24-6
1-bromo-2,4,5-trifluoro-3-methoxybenzene

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 10 steps 1: 1-methyl-pyrrolidin-2-one / 4.5 h / 140 - 150 °C 2: sulfuric acid; water / 1 h / 110 °C 3: sulfuric acid / 3.5 h / 100 °C 4: thionyl chloride / 3 h 5: magnesium ethylate / toluene 6: toluene-4-sulfonic acid / water / 9 h 7: acetic anhydride / 11 h 8: ethanol / 2 h / 20 °C 9: sodiumfluoride / N,N-dimethyl-formamide / 5 h 10: sulfuric acid; water / acetic acid / 1 h View Scheme

Yield

Multi-step reaction with 10 steps
1: 1-methyl-pyrrolidin-2-one / 4.5 h / 140 - 150 °C
2: sulfuric acid; water / 1 h / 110 °C
3: sulfuric acid / 3.5 h / 100 °C
4: thionyl chloride / 3 h
5: magnesium ethylate / toluene
6: toluene-4-sulfonic acid / water / 9 h
7: acetic anhydride / 11 h
8: ethanol / 2 h / 20 °C
9: sodiumfluoride / N,N-dimethyl-formamide / 5 h
10: sulfuric acid; water / acetic acid / 1 h
View Scheme

: 112811-65-1
3-methoxy-2,4,5-trifluorobenzoic acid

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: thionyl chloride / 3 h 2: magnesium ethylate / toluene 3: toluene-4-sulfonic acid / water / 9 h 4: acetic anhydride / 11 h 5: ethanol / 2 h / 20 °C 6: sodiumfluoride / N,N-dimethyl-formamide / 5 h 7: sulfuric acid; water / acetic acid / 1 h View Scheme

: 112811-66-2
2,4,5-trifluoro-3-methoxybenzoyl chloride

: 112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: magnesium ethylate / toluene 2: toluene-4-sulfonic acid / water / 9 h 3: acetic anhydride / 11 h 4: ethanol / 2 h / 20 °C 5: sodiumfluoride / N,N-dimethyl-formamide / 5 h 6: sulfuric acid; water / acetic acid / 1 h View Scheme

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Chemical Properties

Following is the structure of 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid (CAS NO.112811-72-0):

Empirical Formula: C₁₄H₁₁F₂NO₄
Molecular Weight: 295.2382 g/mol
Melting point: 192-194 °C
Molar Refractivity: 66.37 cm³
Molar Volume: 186.6 cm³
Density: 1.581 g/cm³
Flash Point: 240.7 °C
Index of Refraction: 1.629
Surface Tension: 66 dyne/cm
Enthalpy of Vaporization: 77.71 kJ/mol
Boiling Point: 474.4 °C at 760 mmHg
Vapour Pressure: 8.35E-10 mmHg at 25 °C
Appearance: Off-White to Light-Yellow Powder
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals; Gatifloxacin Hemihydrate
SMILES: Fc3c(F)c(OC)c1c(C(=O)\C(=C/N1C2CC2)C(=O)O)c3
InChI: InChI=1/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
InChIKey: WQJZXSSAMGZVTM-UHFFFAOYAT

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Uses

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid (CAS NO.112811-72-0) can be used as Moxifloxacin intermediate.

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid Specification

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid , its cas register number is 112811-72-0. It also can be called 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo- .

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