53903-49-4

Basic information

• Product Name: 2-AMINO-5-METHOXYBENZOTRIFLUORIDE
• Synonyms: 2-AMINO-5-METHOXYBENZOTRIFLUORIDE;5-METHOXY-2-AMINE-BENZOTRIFLUORIDE;4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLAMINE;4-METHOXY-2-(TRIFLUOROMETHYL)ANILINE;2-Amino-5-methoxybenzotrifluoride 98%;2-Amino-5-methoxybenzotrifluoride98%;2-Aamino-5-ethoxybenzotrifluoride;4-Amino-3-(trifluoromethyl)anisole, 4-Methoxy-2-(trifluoromethyl)aniline
• CAS NO: 53903-49-4
• Molecular Formula: C₈H₈F₃NO
• Molecular Weight: 191.15
• Product Categories: Aromatic Halides (substituted);Fluorine series
• Mol File: 53903-49-4.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 234.491 °C at 760 mmHg
• Flash Point: 95.617 °C
• Appearance: /
• Density: 1.281 g/cm³
• Vapor Pressure: 0.053mmHg at 25°C
• Refractive Index: 1.4960
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 2.06±0.10(Predicted)
• CAS DataBase Reference: 2-AMINO-5-METHOXYBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-5-METHOXYBENZOTRIFLUORIDE(53903-49-4)
• EPA Substance Registry System: 2-AMINO-5-METHOXYBENZOTRIFLUORIDE(53903-49-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2810
• HazardClass: IRRITANT
• PackingGroup: Ⅲ
• Hazardous Substances Data: 53903-49-4(Hazardous Substances Data)

Usage

General Description

2-Amino-5-methoxybenzotrifluoride is a chemical compound that is commonly used as an intermediate in the synthesis of pharmaceuticals, dyes, and agrochemicals. It is a highly versatile compound with a variety of applications in the chemical industry. The presence of an amino and methoxy group on a benzene ring, in combination with the trifluoride functional group, makes this compound an important building block in organic synthesis. It can be used to create a wide range of complex molecules, making it an essential component in the production of many different types of chemicals.

InChI:InChI=1/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3

Upstream product

• 2314-97-8 iodotrifluoromethane 
• 104-94-9 4-methoxy-aniline 
• 887144-94-7 Togni's reagent II 
• 98-17-9 3-Trifluoromethylphenol 
• 344-39-8 4-methoxy-1-nitro-2-(trifluoromethyl)benzene 
• 88-30-2 3-trifluoromethyl-4-nitrophenol 

Downstream Products

• 142955-44-0 N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide 
• 1261645-09-3 2-iodo-5-methoxybenzotrifluoride 
• 1360430-75-6 (S)-6-oxo-1,6-dihydro-pyridazine-4-carboxylic acid-{3-[2-fluoro-4-(4-methoxy-2-(trifluoromethyl)-phenylamino)-benzylcarbamoyl]-tetrahydrofuran-3-yl}-amide 
• 1360431-02-2 2-fluoro-4-(4-methoxy-2-(trifluoromethyl)-phenylamino)-benzylamine 
• 1360431-01-1 2-fluoro-4-(4-methoxy-2-(trifluoromethyl)-phenylamino)-benzonitrile 
• 126312-64-9 4-methoxy-6-(methylthiomethyl)-2-(α,α,α-trifluoromethyl)aniline 

Relevant articles and documents

Electrocatalytic reactivity of imine/oxime-type cobalt complex for direct perfluoroalkylation of indole and aniline derivatives

Imine/Oxime-type cobalt complexes, regarded as simple vitamin B12model complexes, were utilized as catalysts for direct C-H perfluoroalkylations of indole and aniline derivatives with nonafluorobutyl iodide (n-C4F9I) as the readily available perfluoroalkyl source. The synthetic approach described herein was performed under mild reaction conditions driven by controlled-potential electrolysis at ?0.8 Vvs.Ag/AgCl in organic solvents. The mechanistic investigations suggest that a nonafluorobutyl radical is mediated by homolytic cleavage of the cobalt(iii)-carbon bond in the catalytic cycle. This is the first report concerning a fluoroalkylation reaction of (hetero)aromatics catalyzed by the simple vitamin B12model complex. The convenient electrocatalytic method employing a simple cobalt complex provides a facile synthesis method toward novel fluoroalkylated compounds, demonstrating potential applications in the fields of pharmaceutical chemistry and materials science.

Preparation method of trifluoromethylated aniline compound

The invention provides a preparation method of a trifluoromethylated aniline compound shown in a formula (IIA) or a formula (IIB). The method comprises the following steps: by taking a mixed solvent of DMF and water in a volume ratio of 1:(1-4) as a reaction medium, adding an aniline compound shown in a formula (IA) or a formula (IB), 1-(trifluoromethyl)-1,2-benziodoxol-3-(1H)-one and a photocatalyst, and reacting for 2-6 hours at room temperature under blue light; and carrying out post-treatment on the obtained reaction mixture to obtain the trifluoromethylated aniline compound as shown in the formula (IIA) or the formula (IIB). According to the method, by the photocatalyst, the reaction is driven to be carried out under the irradiation of visible light, the reaction conditions are mild,the site selectivity is high, the reaction is efficient, green and environment-friendly, the reaction yield can reach 90%, and the product can be prepared by only one step.

Preparation method of trifluoromethylamine

The invention relates to a preparation method of trifluoromethylamine. The method includes the following steps that aromatic amine shown in the formula (1) and a trifluoromethyl reagent shown in the formula (2) react in a solvent under the condition that an alkali and/or nickel compound exists, and the trifluoromethylamine compound shown in the formula (3) is generated. According to the preparation method of trifluoromethylamine, aromatic amine and 1-trifluoromethyl-1,2-iodobenzoyl-3(H)-ketone serve as raw materials and react under the condition that the alkali and/or nickel compound exists through the amino positioning effect on aromatic nucleus. The synthesis steps of the method are simple, the cost of the raw materials is low, the production cost of trifluoromethylamine can be greatly reduced, and large-scale industrialized production is promoted.