6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzimidazole

CAS No.

1231930-33-8

Synonyms

6-Bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazole; also listed as 6-Bromo-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole

Molecular formula

C11H12BrFN2

Molecular weight

271.13 g/mol

Grade

Reagent grade

Packaging

Sealed PE bag / Fiber drum with PE liner

Chemical Product Description & Applications

6-Bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole is a substituted benzimidazole intermediate associated with abemaciclib synthesis. It transfers the fluoro-, methyl- and N-isopropyl-substituted heterocycle as an assembled fragment. The aromatic bromine supplies a coupling handle for connection to the next heteroaromatic component of the synthetic route.

This material is the brominated intermediate rather than abemaciclib itself. Its ring nitrogen is already isopropyl-substituted, so later operations can focus on replacing the bromine without introducing that N-substituent again. The defined position of bromine is important because it determines the connection point to the larger molecular framework. This gives the intermediate a specific fragment-building role in pharmaceutical synthesis.

Typical Applications

  • Abemaciclib fragment coupling: Used in coupling sequences that replace the aromatic bromine and join the substituted benzimidazole fragment to the downstream heteroaromatic framework.
  • Benzimidazole-containing analogue synthesis: Used as a brominated starting fragment to prepare related coupled structures while retaining the fluoro, methyl and N-isopropyl substitution pattern of the benzimidazole ring.

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

Sealed PE bag / Fiber drum with PE liner

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TDS

Technical Data Sheet

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SDS

Safety Data Sheet

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