N-(4-Bromo-2,6-difluorophenyl)-N’-isopropylacetimidamide

CAS No.

1231930-29-2

Synonyms

N-(4-Bromo-2,6-difluorophenyl)-N’-(propan-2-yl)ethanimidamide; also listed as N-(4-Bromo-2,6-difluorophenyl)-N′-(1-methylethyl)ethanimidamide

Molecular formula

C11H13BrF2N2

Molecular weight

291.14 g/mol

Grade

Reagent grade

Packaging

Glass bottle / Fluorinated HDPE drum

Chemical Product Description & Applications

N-(4-Bromo-2,6-difluorophenyl)-N′-isopropylacetimidamide is an amidine intermediate in abemaciclib-related synthesis. It brings together the halogenated aromatic ring and the methyl/isopropyl-containing nitrogen fragment needed for benzimidazole construction. Intramolecular ring closure converts this open-chain assembly into the substituted fused heterocycle while preserving the aromatic bromine as a later coupling site.

Its role differs from that of the already cyclized benzimidazole: this intermediate is used at the ring-forming stage. The amidine functionality enables heterocycle construction, while the brominated aromatic ring carries the connection point needed in subsequent fragment assembly. The prearranged substituents reduce the number of separate functionalization operations required after the benzimidazole ring has been formed.

Typical Applications

  • Benzimidazole-ring construction: Used in ring-closing sequences to produce the bromo-fluoro-N-isopropyl-2-methylbenzimidazole fragment associated with abemaciclib synthesis.
  • Abemaciclib intermediate process development: Used as an isolable amidine-stage material to examine cyclization conversion and formation of ring-closure-related by-products before downstream aryl coupling.

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 / Fluorinated HDPE drum

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TDS

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SDS

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