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

CAS NO.：182182-31-6
Empirical Formula: C13H15FN2O2
Molecular Weight: 250.27
MDL number: MFCD18827384
SAFETY DATA SHEET (SDS)
Update Date: 2025-10-14 17:29:04

What is N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?

The Uses of N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide 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%).

Properties of N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

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)

Safety information for N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

Computed Descriptors for N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

InChIKey	SEFPQWAVZCZXTK-UHFFFAOYSA-N
SMILES	C(NC1CCC2=C(C1=O)C(N)=CC(F)=C2C)(=O)C