4-Amino-3, 5-Dichloroacetophenone NEW

Chinese name: 3, 5-dichloro-4-aminophenone

English name: 4-Amino-3,5-dichloroacetophenone

CAS: 37148-48-4

EINECS number: 253-368-1

Molecular formula: C8H7Cl2NO

MDL number: MFCD00238535

Molecular weight: 204.05

category

Chemical reagent: aromatic ketone

Appearance: beige crystal. Melting point 158-160℃. Insoluble in cold water, slightly soluble in hot water, easily soluble in ethanol, ether, benzene and other organic solvents.

Melting point: 162-166 °C(lit.)

Boiling point: 351.5±42.0 °C(Predicted)

Density: 1.2748 (rough estimate)

Refractive index: 1.5500 (estimate)

Storage conditions: Keep in dark place,Inert atmosphere,Room temperature

Solubility: Soluble in DMSO (a little), methanol (a little)

Predicted Acidity coefficient (pKa) : -1.72±0.10

Form: solid

Color: Light tan to brown

InChI: InChI=1S/C8H7Cl2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3

InChIKey: JLPKZJDZXIKSCP-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC(Cl)=C(N)C(Cl)=C1)C

use

It is an intermediate in the synthesis of the cough and asthma suppressant claributerol.

Preparation method

Aminoacetophenone was obtained by chlorination. Add p-aminoacetophenone and acetic acid (80%) to the reaction pot, stir and dissolve, quickly add the chlorine-containing acetic acid solution, the feeding temperature is 5℃, add up, immediately put into the ice water precipitation, filter, wash, the obtained crude product with ethanol recrystalization, ready to get the finished product.

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