CAS No.151096-09-2,Moxifloxacin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	151096-09-2
Name:	Moxifloxacin
Article Data:	14

Formula:	C₂₁H₂₄FN₃O₄
Molecular Weight:	401.438
Synonyms:	3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-,(4aS-cis)-;Izilox;Moxifloxacine;Vigamox;Moxifloxacin;
EINECS:	604-773-0
Density:	1.409 g/cm³
Melting Point:	203-208 ºC
Boiling Point:	636.4 ºC at 760 mmHg
Flash Point:	338.7 ºC
Appearance:	Almost white crystalling power
Hazard Symbols:	Xn
Risk Codes:	22-40
Safety:	36/37
PSA:	83.80000
LogP:	2.76430

Synthetic route

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

: 151213-40-0
(1S,6S)-2,8-diazabicyclo[4.3.0]nonane

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
With [BCl2(4-picoline)][AlCl4]; triethylamine In methanol at 85℃; for 6h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature;	96%
In dimethyl sulfoxide at 65 - 70℃; for 6 - 8h;	89.7%
With triethylamine In N,N-dimethyl-formamide; acetonitrile at 0 - 78℃; for 11h; Reflux;	66%

: (4aS-cis)-1-cyclopropyl-7-(2,8 diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic aid-O3,O4-bis(propyloxy-O)borate.

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: (4aS-cis)-1-cyclopropyl-7-(2,8 diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic aid-O3,O4-bis(propyloxy-O)borate. With hydrogenchloride In methanol; water at 10 - 15℃; for 2h; pH=1.0 - 2.0; Stage #2: With ammonia In water at 25 - 75℃; for 1.25h; pH=7.5 - 8; Product distribution / selectivity;	90%
Stage #1: (4aS-cis)-1-cyclopropyl-7-(2,8 diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic aid-O3,O4-bis(propyloxy-O)borate. With hydrogenchloride In methanol at 10 - 15℃; for 2h; pH=1 - 2; Stage #2: With ammonia In water at 25 - 75℃; pH=7.5 - 8; Product distribution / selectivity;	90%

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

: 151096-09-2
moxifloxacin

: (1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-(oxo-κO3)-3-quinolinecarboxylato-κO3)difluoroboron

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: (1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-(oxo-κO3)-3-quinolinecarboxylato-κO3)difluoroboron With methanol at 63 - 67℃; for 5 - 6h; Stage #2: With hydrogenchloride; sodium hydroxide; water at 50 - 60℃; for 2h; pH=8.0 - 12.0; Product distribution / selectivity;

: 496919-99-4
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline carboxylic acid-O3,O4-bis(propyloxy-O)borate

: 151213-40-0
(1S,6S)-2,8-diazabicyclo[4.3.0]nonane

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline-carboxylic acid O3,O4-bis(propyloxy-O)borate; (1S,6S)-2,8-diazabicyclo[4.3.0]nonane With triethylamine In acetonitrile at 10 - 15℃; for 2h; Heating / reflux; Stage #2: With hydrogenchloride; water In methanol; acetonitrile at 10 - 15℃; for 2h; pH=1 - 2; Stage #3: With ammonia In water at 70 - 75℃; pH=7.5 - 9.0; Product distribution / selectivity;

Yield

Stage #1: 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinoline-carboxylic acid O3,O4-bis(propyloxy-O)borate; (1S,6S)-2,8-diazabicyclo[4.3.0]nonane With triethylamine In acetonitrile at 10 - 15℃; for 2h; Heating / reflux;
Stage #2: With hydrogenchloride; water In methanol; acetonitrile at 10 - 15℃; for 2h; pH=1 - 2;
Stage #3: With ammonia In water at 70 - 75℃; pH=7.5 - 9.0; Product distribution / selectivity;

: 186826-86-8
moxifloxacin hydrochloride

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 25 - 60℃; for 0.666667h; Product distribution / selectivity;
With sodium hydroxide In cyclohexane; water; acetone at 25 - 60℃; for 13.1667 - 15.1667h; Product distribution / selectivity; Heating / reflux;

: 1028205-69-7
C25H33FN4O3

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: C25H33FN4O3 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity;

: 1028205-70-0
C32H37FN4O5

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: C32H37FN4O5 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity;

: 1028205-71-1
C30H41FN4O5

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: C30H41FN4O5 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity;

: 1028205-72-2
C21H25FN4O3

: 151096-09-2
moxifloxacin

Conditions

Conditions	Yield
Stage #1: C21H25FN4O3 With sodium hydroxide; water In ethylene glycol at 115℃; for 15h; Stage #2: With hydrogenchloride In water; ethylene glycol at 5℃; for 0.5h; pH=5.5; Product distribution / selectivity;

Raw Materials

Downstream Products

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Specification

The Moxifloxacin, with the CAS registry number 151096-09-2,is also known as (1'S,6'S)-1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. It belongs to the product categories of Organic matters. This chemical's molecular formula is C₂₁H₂₄FN₃O₄ and molecular weight is 401.44.What's more,Its systematic name is 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-. It is harmful if swallowed .But there is limited evidence of a carcinogenic effect.When you use it,wear suitable protective clothing and gloves. Moxifloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It functions by inhibiting DNA gyrase, a type II topoisomerase, and topoisomerase IV, enzymes necessary to separate bacterial DNA, thereby inhibiting cell replication.

Physical properties about Metham sodium are:
(1)ACD/LogP: 2.825; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.51; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 101.823 cm3; (14)Molar Volume: 284.995 cm3; (15)Surface Tension: 60.5719985961914 dyne/cm; (16)Density: 1.409 g/cm3; (17)Flash Point: 338.672 °C; (18)Enthalpy of Vaporization: 98.821 kJ/mol; (19)Boiling Point: 636.382 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O;
(2)Std. InChI:InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1;
(3)Std. InChIKey:FABPRXSRWADJSP-MEDUHNTESA-N.