1231930-37-2

Basic information

• Product Name: 1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
• Synonyms: 1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-;4-fluoro-1-isopropyl-2-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]iMidazole;intermediate-1(Abemaciclib);1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- 4-fluoro-1-isopropyl-2-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]iMidazole intermediate-1(Abemaciclib);4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole;(4-FLUORO-1-ISOPROPYL-2-METHYL-1H-BENZO[D]IMIDAZOL-6-YL)BORONIC ACID PINACOL ESTER;4-fluoro-2-methyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole;4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• CAS NO: 1231930-37-2
• Molecular Formula: C₁₇H₂₄BFN₂O₂
• Molecular Weight: 318.1940632
• EINECS: 1592732-453-0
• Mol File: 1231930-37-2.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 442.7±30.0 °C(Predicted)
• Appearance: /
• Density: 1.12±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 4.32±0.10(Predicted)
• CAS DataBase Reference: 1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(1231930-37-2)
• EPA Substance Registry System: 1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-(1231930-37-2)

Safety Data

• Hazardous Substances Data: 1231930-37-2(Hazardous Substances Data)

Usage

General Description

The chemical 1H-Benzimidazole, 4-fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) is a complex organic compound with a benzimidazole ring and a fluoro substituent at the 4th position. It also contains a 2-methyl-1-(1-methylethyl) group and a boron-containing moiety. 1H-BenziMidazole, 4-fluoro-2-Methyl-1-(1-Methylethyl)-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- may have potential applications in pharmaceuticals, agrochemicals, or materials science due to its unique structure and functional groups. Its specific properties and potential uses would require further investigation and testing.

Upstream product

• 42717-36-2 N-isopropylethanimidamide 
• 67567-26-4 4-bromo-2,6-difluoroaniline 
• 1231930-29-2 N-(4-bromo-2,6-difluorophenyl)-N'-isopropylacetamidine 
• 1118-69-0 N-isopropylacetamide 
• 1231930-33-8 6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 
• 73183-34-3 bis(pinacol)diborane 

Downstream Products

• 1231929-97-7 N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-2-pyrimidinamine 
• 1231930-82-7 abemaciclib 
• 1231930-48-5 tert-butyl 4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)pyridin-3-yl)methyl)piperazine-1-carboxylate 
• 1231930-42-9 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole 

Relevant articles and documents

Hydrogen Evolution from Telescoped Miyaura Borylation and Suzuki Couplings Utilizing Diboron Reagents: Process Safety and Hazard Considerations

The hazard assessment of a telescoped Miyaura borylation and Suzuki coupling reaction employing bis(pinacolato)diboron (BisPin), used in the developmental synthesis of an intermediate for abemaciclib, led to the observation of hydrogen being generated. Quantitative headspace GC and solution 11B NMR were used to show that the rapid decomposition of the excess BisPin from the borylation under the aqueous basic conditions of the Suzuki reaction was responsible for H2 generation. The moles of H2 observed were found equal to the BisPin excess, which is rationalized by mass balance and a stoichiometric reaction. The possible generation of the stoichiometric levels of H2 should be considered in hazard assessments of this class of reaction. Kinetic and process modeling was used to minimize the risk upon scale-up, and results for commercial manufacturing batches are presented, which showed good agreement with the lab scale data. Furthermore, the hydrogen evolution potentials of other common borylating agents including bisboronic acid (BBA) and pinacol borane were demonstrated.

A pyrimidine compound and its application

The present invention discloses a pyrimidine amine compound having a general formula I structure and its applications, the class of compounds belongs to the kinase CDK4, CDK6 and / or CDK9 inhibitors, can be more widely used in the treatment of a variety

CRYSTALLINE POLYMORPHS OF ABEMACICLIB

The present disclosure provides novel polymorphs of abemaciclib, solid dispersions of abemaciclib with pharmaceutical excipients, and processes for the preparation thereof. The disclosure further provides methods for preparing crystalline abemaciclib form I, amorphous abemaciclib, and methods for synthesizing abemaciclib.