CAS No.42835-25-6,Flumequine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42835-25-6
Name:	Flumequine
Article Data:	9

Formula:	C₁₄H₁₂FNO₃
Molecular Weight:	261.253
Synonyms:	Apurone;Fantacin;Firestop;Flumigal;Flumiquil;Flumisol;Flumix;Imequyl;R 802;R 802 (bactericide);lumequine;1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 9-fluoro-6,7-dihydro-5-methyl-1-oxo-;
EINECS:	255-962-6
Density:	1.45 g/cm³
Melting Point:	253- 255 °C
Boiling Point:	439.7 °C at 760 mmHg
Flash Point:	219.7 °C
Solubility:	Soluble in DMSO and dilute alkali hydroxides. Insoluble in water
Appearance:	white to off-white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36/37/39-27-26
PSA:	59.30000
LogP:	2.34600

Synthetic route

: 42835-47-2
9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid ethyl ester

: 42835-25-6
flumequine

Conditions

Conditions	Yield
With water at 100℃; for 3h;	70.8%
With sodium hydroxide at 80℃; for 2h;	304.5 mg

: 42835-89-2
6-fluoro-1,2,3,4-tetrahydro-2-methylquinoline

: 42835-25-6
flumequine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 97 percent / 2.5 h / 125 °C 2: 69.1 percent / polyphosphoric acid / toluene / 6 h / 110 °C 3: 70.8 percent / H2O / 3 h / 100 °C View Scheme
Multi-step reaction with 3 steps 1: 2.5 h / 125 °C 2: polyphosphoricacid / water / Heating 3: sodium hydroxide / 2 h / 80 °C View Scheme

: 105450-09-7
Diethyl (2-methyl-6-fluorotetrahydro-quinolin-1-yl)methylenemalonate

: 42835-25-6
flumequine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 69.1 percent / polyphosphoric acid / toluene / 6 h / 110 °C 2: 70.8 percent / H2O / 3 h / 100 °C View Scheme

: 42835-89-2
6-fluoro-1,2,3,4-tetrahydro-2-methylquinoline

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 42835-25-6
flumequine

Conditions

Conditions	Yield
With PPA In water; toluene
In sodium hydroxide; toluene
With PPA In water; toluene
In sodium hydroxide; toluene

: 15568-85-1
5-methoxymethylene-2,2-dimethyl-1,3-dioxane-4,6-dione

: 42835-89-2
6-fluoro-1,2,3,4-tetrahydro-2-methylquinoline

A: 123400-74-8
5-[1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolyl)]-methylene-2,2-dimethyl-1,3-dioxan-4,6-dione

B: 42835-25-6
flumequine

Conditions

Conditions	Yield
In tetrahydrofuran

...Expand

: 123400-74-8
5-[1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolyl)]-methylene-2,2-dimethyl-1,3-dioxan-4,6-dione

: 42835-25-6
flumequine

Conditions

Conditions	Yield
With sodium hydroxide; PPA In 5,5-dimethyl-1,3-cyclohexadiene

: 1128-61-6
6-fluoro-2-methyl-quinoline

: 42835-25-6
flumequine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrogen / toluene / 24 h / 120 °C / 3750.38 Torr / Autoclave 2: 2.5 h / 125 °C 3: polyphosphoricacid / water / Heating 4: sodium hydroxide / 2 h / 80 °C View Scheme

: 95-14-7
1,2,3-Benzotriazole

: 42835-25-6
flumequine

: 1173208-75-7
2-(1H-benzo[d][1,2,3]triazole-1-carbonyl)-9-fluoro-5-methyl-6,7-dihydropyrido[3,2,1-ij]quinolin-1(5H)-one

Conditions

Conditions	Yield
Stage #1: 1,2,3-Benzotriazole With thionyl chloride In dichloromethane at 25℃; for 0.5h; Stage #2: flumequine In dichloromethane at 25℃; for 2h;	90%

: 42835-25-6
flumequine

: 7646-85-7
zinc(II) chloride

: 1268236-43-6
[Zn(flmq)2(H2O)2]

Conditions

Conditions	Yield
Stage #1: flumequine With potassium hydroxide In methanol for 0.333333h; Stage #2: zinc(II) chloride In methanol for 0.5h;	75%

: 1202-34-2
di(pyridin-2-yl)amine

: cobalt(II) chloride hexahydrate

: 42835-25-6
flumequine

: C38H31CoF2N5O6*H2O

Conditions

Conditions	Yield
Stage #1: flumequine With potassium hydroxide In methanol for 0.5h; Stage #2: di(pyridin-2-yl)amine; cobalt(II) chloride hexahydrate In methanol for 0.5h;	70%

...Expand

Raw Materials

15568-85-1

87-13-8

42835-89-2

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Specification

1. Introduction of Flumequine

The Flumequine with cas registry number of 42835-25-6 is white crystalline solid. This chemical belongs to the following categories: Aromatics Compounds; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Quinolones and Fluoroquinolones; A-K Antibiotics; Antibacterial; Chemical Structure Class; Inhibits an Enzyme Antibiotics; Interferes with DNA Synthesis Antibiotics; Mechanism of Action; Spectrum of Activity; APIs.

2. Properties of Flumequine

The physical properties about this chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 12.55; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 153.12; (8)ACD/KOC (pH 7.4): 2.88; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 65.11 cm³; (14)Molar Volume: 179.4 cm³; (15)Surface Tension: 62.3 dyne/cm; (16)Density: 1.45 g/cm³; (17)Flash Point: 219.7 °C; (18)Enthalpy of Vaporization: 73.43 kJ/mol; (19)Boiling Point: 439.7 °C at 760 mmHg; (20)Vapour Pressure: 1.66E-08 mmHg at 25°C.

3. Structure Descriptors of Flumequine

You could convert the following datas into the molecular structure:
(1)SMILES: Fc2cc1C(=O)/C(C(=O)O)=C\N3c1c(c2)CCC3C;
(2)InChI: InChI=1/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19);
(3)InChIKey: DPSPPJIUMHPXMA-UHFFFAOYAX

4. Safety Information of Flumequine

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes when you are using it. And do not breathe dust. Take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

5. Use and Preparation of Flumequine

1). Preparation of Flumequine: it can be made by 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid ethyl ester with reagent water at temperature of 100 ℃.

2). Uses of Flumequine: it has been used as a drug to treat bacterial infections in farm animals, household pets, and also urinary tract infections in humans. It can kill bacteria by interfering with the enzymes that cause DNA to unwind and duplicate.