110729-51-6

Basic information

• Product Name: 2-Fluoro-N-Methyl-5-nitroaniline
• Synonyms: 2-Fluoro-N-Methyl-5-nitroaniline
• CAS NO: 110729-51-6
• Molecular Formula: C₇H₇FN₂O₂
• Molecular Weight: 170.1410832
• Mol File: 110729-51-6.mol

Chemical Properties

• Boiling Point: 270.3±30.0 °C(Predicted)
• Appearance: /
• Density: 1.361±0.06 g/cm3(Predicted)
• PKA: 2.12±0.25(Predicted)
• CAS DataBase Reference: 2-Fluoro-N-Methyl-5-nitroaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-N-Methyl-5-nitroaniline(110729-51-6)
• EPA Substance Registry System: 2-Fluoro-N-Methyl-5-nitroaniline(110729-51-6)

Safety Data

• Hazardous Substances Data: 110729-51-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-Fluoro-N-Methyl-5-nitroaniline is used as an organic synthesis intermediate for the preparation of a range of chemical compounds. Its unique structure allows it to be a key component in the synthesis of various organic molecules, contributing to the development of new materials and chemical entities.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 2-Fluoro-N-Methyl-5-nitroaniline is utilized as a pharmaceutical intermediate. It plays a crucial role in the development of new drugs, particularly in the synthesis of active pharmaceutical ingredients (APIs). Its presence in the molecular structure can influence the pharmacological properties of the final drug product, such as potency, selectivity, and safety.
Used in Laboratory Research and Development:
2-Fluoro-N-Methyl-5-nitroaniline is also employed in laboratory research and development processes. It is used to study the effects of structural modifications on the properties and activities of synthesized compounds. This research can lead to the discovery of new chemical entities with improved performance and applications in various fields.
Used in Chemical and Pharmaceutical Production Processes:
Finally, 2-Fluoro-N-Methyl-5-nitroaniline is used in the actual production processes of chemicals and pharmaceuticals. Its role as an intermediate allows for the large-scale synthesis of target compounds, contributing to the commercial availability of various products in the market.

Synthesis

2-fluoro-5-nitroaniline (20.0g, 128.2mmol) and paraformaldehyde (16.0g, 533.3mmol) was dissolved in 500mL of methanol then stirred at room temperature. Then added dropwise NaOMe (3.4g, 63mmol) in methanol 100mL. The reaction was stirred at room temperature for 16 hours then was added NaBH4 (9.7g, 255.2mmol) in two aliquots, stirred for 15 minutes. LCMS traced the reaction. After completion of the reaction was poured into 1M KOH aqueous solution, and stirred to precipitate a solid. Filtered to give a yellow solid 2-fluoro-N-methyl-5-nitroaniline (19.0g, 87% yield).

Upstream product

• 50-00-0 formaldehyd 
• 369-36-8 6-fluoro-3-nitroaniline 

Downstream Products

• 449760-92-3 2-dimethylamino-N-methyl-5-nitroaniline 
• 157921-53-4 N-(2-Fluoro-5-nitro-phenyl)-N-methyl-methanesulfonamide 
• 449761-01-7 2-chloro-N-methyl-5'-nitro-2'-[2-(1,2,3,4-tetrahydroisoquinolyl)]acetanilide 
• 449761-00-6 2-chloro-5'-nitro-N-methyl-2'-piperidinoacetanilide 
• 449760-99-0 2-chloro-5'-dimethylamino-N-methyl-5'-nitroacetanilide 
• 449760-94-5 N-methyl-5-nitro-2-[2-(1,2,3,4-tetrahydroisoquinolyl)]aniline 
• 449760-93-4 N-methyl-5-nitro-2-piperidinoaniline 

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