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182182-31-6

182182-31-6 Structure

182182-31-6 Structure
IdentificationBack Directory
[Name]

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
[CAS]

182182-31-6
[Synonyms]

N-(8-amino-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
N-(8-acetamido-6-fluoro-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetamide
Acetamide, N-(8-amino-6-fluoro-1,2,3,4-tetrahydro-5-methyl-1-oxo-2-naphthalenyl)-
N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide hydrochloride
[Molecular Formula]

C13H15FN2O2
[MDL Number]

MFCD18827384
[MOL File]

182182-31-6.mol
[Molecular Weight]

250.27
Chemical PropertiesBack Directory
[Melting point ]

200-210°
[Boiling point ]

550.1±50.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

Solid
[pka]

14.41±0.20(Predicted)
[color ]

Off-white to gray
[InChI]

InChI=1S/C13H15FN2O2/c1-6-8-3-4-11(16-7(2)17)13(18)12(8)10(15)5-9(6)14/h5,11H,3-4,15H2,1-2H3,(H,16,17)
[InChIKey]

SEFPQWAVZCZXTK-UHFFFAOYSA-N
[SMILES]

C(NC1CCC2=C(C1=O)C(N)=CC(F)=C2C)(=O)C
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is an intermediate of Exatecan. Exatecan is used as a component of antibody-drug conjugates for cancer research.
[Uses]

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide(182182-31-6) is an important pharmaceutical raw material that is a by-product of the ezetimibe preparation process.
[Synthesis]

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is synthesised from N,N'-(3-fluoro-4-methyl-8-oxo-5,6,7,8-tetrahydronaphthalene-1,7-diyl)diethanamide by reaction in the presence of inert gas. The steps are as follows:
Add compound (15.5 g) to a solution of 2N hydrochloric acid (620 mL) and methanol (620 mL), protect with argon, and react at 60°C for 0.5 hours. The temperature is reduced to 010°C, and sodium carbonate (65.7 g ) In water (1314 mL) solution to pH=34, and then neutralized to pH=67 with saturated sodium bicarbonate solution, filtered, washed with 100 mL water, and dried to obtain N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide as a solid powder (12.4 g , 93%).
N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide synthesis
[IC 50]

Camptothecins
Spectrum DetailBack Directory
[Spectrum Detail]

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide(182182-31-6)1HNMR
N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide(182182-31-6)19FNMR
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