Basic information Safety Supplier Related

1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-

Basic information Safety Supplier Related

1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]- Basic information

Product Name:
1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-
Synonyms:
  • 1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-
  • 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-aminoisoindoline-1,3-dione
  • 1H-Isoindole-1,3(2H)-dione, 4-amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-
  • Apremilast Impurity 76
  • Apremilast Impurity 81
  • rac-Apremilast Impurity 11
  • 4-Amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione
  • ((S)-4-amino-2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)isoindoline-1,3-dione (N- Deacetyl Apremilast)
CAS:
253168-83-1
MF:
C20H22N2O6S
MW:
418.46
Mol File:
253168-83-1.mol
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1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]- Chemical Properties

Boiling point:
673.6±55.0 °C(Predicted)
Density 
1.383±0.06 g/cm3(Predicted)
pka
-0.76±0.20(Predicted)
InChI
InChI=1S/C20H22N2O6S/c1-4-28-17-10-12(8-9-16(17)27-2)15(11-29(3,25)26)22-19(23)13-6-5-7-14(21)18(13)20(22)24/h5-10,15H,4,11,21H2,1-3H3
InChIKey
BHJUWEUNUCJYER-UHFFFAOYSA-N
SMILES
C1(=O)C2=C(C(N)=CC=C2)C(=O)N1C(C1=CC=C(OC)C(OCC)=C1)CS(C)(=O)=O
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1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]- Usage And Synthesis

Uses

4-Amino-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1H-isoindole-1,3(2H)-dione is used in the apremilast acetylamino analogs preparation as oral PDE4 and TNF-α inhibitors.

1H-Isoindole-1,3(2H)-dione, 2-[1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl]-Supplier

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