Abemaciclib Impurity 1

CAS No. 1231930-33-8
Cat. No. CS-M2089
Purity≥98%
MDL No.MFCD16660227

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Description

6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole features a sterically hindered imidazole core with complementary halogen and alkyl substituents, enabling selective coupling in late-stage functionalization. The electron-deficient aryl ring facilitates palladium-catalyzed cross-coupling reactions under standard conditions, while the isopropyl and methyl groups enhance solubility and stability during synthesis.

Application

6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole serves as a versatile building block for the synthesis of bioactive heterocycles, enabling palladium-catalyzed cross-coupling reactions due to its bromine and fluorine substituents. Its isopropyl and methyl groups enhance steric and electronic modulation, facilitating selective functionalization in medicinal chemistry applications. The compound exhibits bench stability and compatibility with standard purification protocols, making it well-suited for scalable synthesis workflows.

General Information

CAS No. 1231930-33-8
Cat. No. CS-M2089
Purity ≥98%
MDL No. MFCD16660227
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂BrFN₂
Molecular Weight 271.13
Synonym(s) 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
SMILES CC1=NC2=C(F)C=C(Br)C=C2N1C(C)C

Computational Chemistry Data

TPSA 17.82
LogP 3.82722
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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Abemaciclib Impurity 1

CAS No. 1231930-33-8

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