457051-15-9

Basic information

• Product Name: 4-bromo-2-fluoro-6-methoxybenzonitrile
• Synonyms: 4-bromo-2-fluoro-6-methoxybenzonitrile
• CAS NO: 457051-15-9
• Molecular Formula: C₈H₅BrFNO
• Molecular Weight: 230.0338032
• Mol File: 457051-15-9.mol

Chemical Properties

• Boiling Point: 269.5±35.0 °C(Predicted)
• Appearance: /
• Density: 1.63±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-bromo-2-fluoro-6-methoxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-bromo-2-fluoro-6-methoxybenzonitrile(457051-15-9)
• EPA Substance Registry System: 4-bromo-2-fluoro-6-methoxybenzonitrile(457051-15-9)

Safety Data

• Hazardous Substances Data: 457051-15-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
4-bromo-2-fluoro-6-methoxybenzonitrile is utilized as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties. The presence of multiple functional groups allows for versatile chemical reactions, facilitating the creation of novel medicinal compounds.
Used in Agrochemical Development:
In the agrochemical industry, 4-bromo-2-fluoro-6-methoxybenzonitrile serves as a building block for the production of pesticides and other agrochemicals. Its unique structure allows for the design of molecules with targeted biological activity, enhancing crop protection and yield.
Used in Organic Synthesis:
As a versatile intermediate, 4-bromo-2-fluoro-6-methoxybenzonitrile is employed in organic synthesis for the creation of more complex organic molecules. Its functional groups enable a range of chemical reactions, making it a valuable component in the synthesis of specialty chemicals and advanced materials.
Used in Chemical Product Production:
4-bromo-2-fluoro-6-methoxybenzonitrile is leveraged in the production of various chemical products due to its unique structure and properties. It plays a crucial role as an intermediate in the manufacturing process, contributing to the development of innovative and high-quality chemical goods.

Upstream product

• 123843-67-4 4-bromo-2,6-difluorobenzonitrile 
• 67-56-1 methanol 

Downstream Products

• 1610379-27-5 2-(6-(4-isopropylpiperazin-1-yl)pyridin-2-yl)-5-methoxy-7-phenylquinazolin-4(3H)-one 
• 1472104-54-3 N-[(4-chlorophenyl)-methyl]-2-fluoro-6-isopropenyl-4-morpholin-4-yl-benzamide 
• 1472103-95-9 N-[(4-chlorophenyl)-methyl]-2-fluoro-6-isopropyl-4-morpholin-4-yl-benzamide 
• 1472104-52-1 N-[(4-chlorophenyl)-methyl]-2-fluoro-6-hydroxy-4-morpholin-4-yl-benzamide 
• 1472104-51-0 N-[(4-chlorophenyl)-methyl]-2-fluoro-6-methoxy-4-morpholin-4-yl-benzamide 
• 1472104-50-9 4-bromo-N-[(4-chlorophenyl)-methyl]-2-fluoro-6-methoxy-benzamide 
• 1472104-49-6 4-bromo-2-fluoro-6-methoxy-benzoic acid 

Relevant articles and documents

Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma

Diffuse intrinsic pontine glioma is an aggressive pediatric cancer for which no effective chemotherapeutic drugs exist. Analysis of the genomic landscape of this disease has led to the identification of the serine/threonine kinase ALK2 as a potential target for therapeutic intervention. In this work, we adopted an open science approach to develop a series of potent type I inhibitors of ALK2 which are orally bio-available and brain-penetrant. Initial efforts resulted in the discovery of M4K2009, an analogue of the previously reported ALK2 inhibitor LDN-214117. Although highly selective for ALK2 over the TGF-βR1 receptor ALK5, M4K2009 is also moderately active against the hERG potassium channel. Varying the substituents of the trimethoxyphenyl moiety gave rise to an equipotent benzamide analogue M4K2149 with reduced off-target affinity for the ion channel. Additional modifications yielded 2-fluoro-6-methoxybenzamide derivatives (26a-c), which possess high inhibitory activity against ALK2, excellent selectivity, and superior pharmacokinetic profiles.

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