127979-74-2

Basic information

• Product Name: 2-(TRIFLUOROMETHOXY)BENZAMIDE
• Synonyms: 2-(TRIFLUOROMETHOXY)BENZAMIDE;2-(Trifluoromethoxy)benzamide 97%;2-(Trifluoromethoxy)benzamide97%
• CAS NO: 127979-74-2
• Molecular Formula: C₈H₆F₃NO₂
• Molecular Weight: 205.13
• Mol File: 127979-74-2.mol

Chemical Properties

• Melting Point: 153 °C
• Boiling Point: 241.8 °C at 760 mmHg
• Flash Point: 100.1 °C
• Appearance: /
• Density: 1.381g/cm³
• Vapor Pressure: 0.0351mmHg at 25°C
• Refractive Index: 1.481
• PKA: 15.28±0.50(Predicted)
• CAS DataBase Reference: 2-(TRIFLUOROMETHOXY)BENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROMETHOXY)BENZAMIDE(127979-74-2)
• EPA Substance Registry System: 2-(TRIFLUOROMETHOXY)BENZAMIDE(127979-74-2)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-52-36-22
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 127979-74-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
2-(TRIFLUOROMETHOXY)BENZAMIDE is utilized as a building block for the synthesis of various bioactive compounds, contributing to the development of new pharmaceutical agents. Its unique properties allow it to be a key component in creating molecules with potential therapeutic effects.
Used in Agrochemical Development:
In the agrochemical industry, 2-(TRIFLUOROMETHOXY)BENZAMIDE is employed as a starting material for the synthesis of compounds with pesticidal or herbicidal properties, leveraging its reactivity and functional group to enhance the effectiveness of these chemicals.
Used in Materials Science:
2-(TRIFLUOROMETHOXY)BENZAMIDE also finds application in materials science, where it is used as a component in the development of new materials with specific properties. Its electron-withdrawing nature and lipophilicity can influence the characteristics of the materials, making it suitable for various high-tech applications.

InChI:InChI=1/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)

Upstream product

• 927-84-4 bis(trifluoromethyl)peroxide 
• 55-21-0 benzamide 

Downstream Products

• 1033802-96-8 N-[3',5'-dimethyl-2-(5-methylbenzoxazol-2-yl)biphenyl-4-yl]-2-trifluoromethoxybenzamide 

Relevant articles and documents

Radical C?H Trifluoromethoxylation of (Hetero)arenes with Bis(trifluoromethyl)peroxide

Trifluoromethoxylated (hetero)arenes are of great interest for several disciplines, especially in agro- and medicinal chemistry. Radical C?H trifluoromethoxylation of (hetero)arenes represents an attractive approach to prepare such compounds, but the high cost and low atom economy of existing .OCF3 radical sources make them unsuitable for the large-scale synthesis of trifluoromethoxylated building blocks. Herein, we introduce bis(trifluoromethyl)peroxide (BTMP, CF3OOCF3) as a practical and efficient trifluoromethoxylating reagent that is easily accessible from inexpensive bulk chemicals. Using either visible light photoredox or TEMPO catalysis, trifluoromethoxylated arenes could be prepared in good yields under mild conditions directly from unactivated aromatics. Moreover, TEMPO catalysis allowed for the one-step synthesis of valuable pyridine derivatives, which have been previously prepared via multi-step approaches.

Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow

The first example of photocatalytic trifluoromethoxylation of arenes and heteroarenes under continuous-flow conditions is described. Application of continuous-flow microreactor technology allowed to reduce the residence time up to 16 times in comparison t

Radical Trifluoromethoxylation of Arenes Triggered by a Visible-Light-Mediated N?O Bond Redox Fragmentation

A simple trifluoromethoxylation method enables non-directed functionalization of C?H bonds on a range of substrates, providing access to aryl trifluoromethyl ethers. This light-driven process is distinctly different from conventional procedures and occurs through an OCF3 radical mechanism mediated by a photoredox catalyst, which triggers an N?O bond fragmentation. The pyridinium-based trifluoromethoxylation reagent is bench-stable and provides access to synthetic diversity in lead compounds in an operationally simple manner.