40067-80-9

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)BENZAMIDOXIME
• Synonyms: 3-(TRIFLUOROMETHYL)BENZAMIDOXIME;N-HYDROXY-3-TRIFLUOROMETHYL-BENZAMIDINE;N'-HYDROXY-3-(TRIFLUOROMETHYL)BENZENECARBOXIMIDAMIDE;3-(Trifluoromethyl)benzamidoxime 97%;3-(Trifluoromethyl)benzamidoxime97%;N'-Hydroxy-3-(trifluoromethyl)benzenecarboximidamide, 3-(N'-Hydroxycarbamimidoyl)benzotrifluoride;BenzenecarboxiMidaMide,N-hydroxy-3-(trifluoroMethyl)-
• CAS NO: 40067-80-9
• Molecular Formula: C₈H₇F₃N₂O
• Molecular Weight: 204.15
• Product Categories: pharmacetical;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Nitrogen Compounds;Organic Building Blocks;Oximes
• Mol File: 40067-80-9.mol
• Article Data: 22

Chemical Properties

• Melting Point: 87-90 °C(lit.)
• Boiling Point: 306.6°Cat760mmHg
• Flash Point: 139.2°C
• Appearance: /
• Density: 1.4g/cm³
• PKA: 13.88±0.50(Predicted)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)BENZAMIDOXIME(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)BENZAMIDOXIME(40067-80-9)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)BENZAMIDOXIME(40067-80-9)

Safety Data

• Hazard Codes: Xi,T
• Statements: 36/37/38-43-25
• Safety Statements: 26-36-45-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 40067-80-9(Hazardous Substances Data)

Usage

General Description

3-(Trifluoromethyl)benzamidoxime is a chemical compound with the molecular formula C8H6F3N3O. It is a white crystalline solid that is soluble in organic solvents and has a melting point of 154-156 °C. 3-(TRIFLUOROMETHYL)BENZAMIDOXIME is used as a reagent in organic synthesis and pharmaceutical research, particularly in the development of new drugs and pharmaceutical intermediates. It is also known for its potential application in the treatment of various diseases and conditions. Additionally, it is used as a building block in the production of other organic compounds.

Upstream product

• 368-77-4 3-trifluoromethylbenzonitrile 
• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 368-83-2 3-(trifluoromethyl)benzaldehyde oxime 

Downstream Products

• 16013-12-0 3-(3-trifluoromethyl-phenyl)-[1,2,4]oxadiazole 
• 40067-76-3 3,3'-bis-(3-trifluoromethyl-phenyl)-5,5'-p-phenylene-bis-[1,2,4]oxadiazole 
• 40067-77-4 3,3'-bis-(3-trifluoromethyl-phenyl)-5,5'-m-phenylene-bis-[1,2,4]oxadiazole 
• 360049-07-6 N²-(Ethoxycarbonyloxy)-3-trifluoromethylbenzamidine 
• 844498-77-7 C₁₀H₈ClF₃N₂O₂ 
• 844498-80-2 5-(chloromethyl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole 

Relevant articles and documents

Cobalt-Catalyzed, Directed Intermolecular C-H Bond Functionalization for Multiheteroatom Heterocycle Synthesis: The Case of Benzotriazine

Transition-metal-catalyzed, directed intermolecular C-H bond functionalization is synthetically useful but heavily underexplored in multiheteroatom heterocycle synthesis. Herein we report a cobalt catalytic method for the formation of a three-nitrogen-bearing benzotriazine scaffold via the coupling of arylhydrazine and oxadiazolone. This synthetic protocol features a low-cost base metal catalyst, a maximum number of heteroatoms built into a heterocycle, a distinct synthetic logic for benzotriazines, a superior step economy, and a broad substrate scope.

SO2F2-Mediated one-pot cascade process for transformation of aldehydes (RCHO) to cyanamides (RNHCN)

A simple, mild and practical cascade process for the direct conversion of aldehydes to cyanamides was developed featuring a wide substrate scope and great functional group tolerability. This method allows for transformations of readily available, inexpensive, and abundant aldehydes to highly valuable cyanamides in a pot, atom, and step-economical manner with a green nitrogen source. This protocol will serve as a robust tool for the installation of the cyanamide moiety in various complicated molecules.

KCNT1 INHIBITORS AND METHODS OF USE

The present invention is directed to, in part, compounds and compositions useful for preventing and/or treating a neurological disease or disorder, a disease or condition relating to excessive neuronal excitability, and/or a gain-of-function mutation in a gene (e.g., KCNT1). Methods of treating a neurological disease or disorder, a disease or condition relating to excessive neuronal excitability, and/or a gain-of-function mutation in a gene such as KCNT1 are also provided herein.