N-Isopropylacetamide

CAS No.

1118-69-0

Synonyms

N-(Propan-2-yl)acetamide

Molecular formula

C5H11NO

Molecular weight

101.15 g/mol

Grade

Reagent grade

Packaging

Glass bottle / Steel drum

Chemical Product Description & Applications

N-Isopropylacetamide is a secondary amide used as a small nitrogen-containing building block in heterocycle synthesis. In abemaciclib-related routes, it contributes the acetyl-derived carbon unit and the N-isopropyl component to an amidine intermediate. Subsequent cyclization produces the methyl- and isopropyl-substituted benzimidazole framework.

The material is the simple acetamide, not a halogenated acetamide or an aminoacetamide. Its particular combination of an acetyl group and isopropyl-substituted nitrogen accounts for its role in fragment construction. Activation and condensation chemistry allows those groups to be transferred together, while the resulting amidine occupies a different synthetic stage from the final fused heterocycle. This is a synthesis reagent rather than a formulated process solvent.

Typical Applications

  • Abemaciclib amidine-intermediate preparation: Used with the corresponding bromodifluoroaniline in routes that assemble the N-isopropyl acetimidamide precursor to the substituted benzimidazole fragment.
  • Substituted benzimidazole route development: Used as the amide feedstock when studying activation, amidine formation and ring closure, linking the choice of N-substituent to the structure of the resulting heterocycle.

Specifications

Parameter Specification Test Method
Appearance Solid; color consistent with the reference sample Visual inspection
Identification Consistent with authenticated reference FTIR fingerprint comparison
Chromatographic purity ≥98.0 area% HPLC with suitable UV or CAD detection
Total organic impurities ≤2.0 area% HPLC, area normalization
Largest individual impurity ≤1.0 area% HPLC, area normalization
Water ≤1.0% w/w Karl Fischer titration

Specifications describe the standard grade. Tolerance, test method and documentation package are confirmed per order.

Documents & Handling

Packaging

Glass bottle / Steel drum

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TDS

Technical Data Sheet

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SDS

Safety Data Sheet

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