69113-32-2

Basic information

• Product Name: 4-FLUOROBENZAMIDOXIME 98
• Synonyms: 4-FLUOROBENZAMIDOXIME 98;Benzenecarboximidamide, 4-fluoro-N-hydroxy-, (Z)- (9CI);4-Fluorobenzamidoxime 93%;4-Fluorobenzamidoxime93%;(Z)-4-Fluoro-N'-hydroxybenzimidamide;4-Fluoro-N'-hydroxybenzenecarboximidamide, 4-Fluoro-N'-hydroxybenzamidine;4-Fluoro-N'-hydroxybenziMidaMide;p-Fluorobenzamidoxime
• CAS NO: 69113-32-2
• Molecular Formula: C₇H₇FN₂O
• Molecular Weight: 154.1416832
• Product Categories: AMIDINE;Nitrogen Compounds;Organic Building Blocks;Oximes
• Mol File: 69113-32-2.mol
• Article Data: 19

Chemical Properties

• Melting Point: 92-95 °C(lit.)
• Boiling Point: 299.815 °C at 760 mmHg
• Flash Point: 135.124 °C
• Appearance: White to off-white/Crystalline Powder
• Density: 1.303 g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-FLUOROBENZAMIDOXIME 98(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUOROBENZAMIDOXIME 98(69113-32-2)
• EPA Substance Registry System: 4-FLUOROBENZAMIDOXIME 98(69113-32-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 69113-32-2(Hazardous Substances Data)

Usage

Uses

4-Fluorobenzamidoxime ((Z)-4-fluoro-N′-hydroxybenzimidamide) may be used in the synthesis of 2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)benzyl benzoate, by reaction with 2-(chlorocarbonyl)benzyl benzoate.

General Description

4-Fluorobenzamidoxime is a benzamidoxime derivative containing amidoxime functional group.

InChI:InChI=1/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)

Upstream product

• 1194-02-1 4-fluorobenzonitrile 

Downstream Products

• 851882-60-5 (R)-3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid tert-butyl ester 
• 933983-45-0 3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid tert-butyl ester 
• 915233-35-1 2-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 915233-33-9 5-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 1019016-93-3 ethyl 2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)acetate 
• 915233-37-3 (S)-3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine hydrochloride 
• 915233-36-2 3-(4-fluoro-phenyl)-5-pyrrolidin-2-ylmethyl-[1,2,4]oxadiazole hydrochloride 
• 719274-57-4 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.2]octane-1-carboxylic acid 
• 719274-58-5 3-(4-fluorophenyl)-5-(4-{5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole 
• 719272-75-0 3-(4-Fluorophenyl)-5-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]bicyclo[2.2.2]oct-1-yl]-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.

Design, synthesis and biological activities of piperidine-spirooxadiazole derivatives as α7 nicotinic receptor antagonists

α: 7 nicotinic acetylcholine receptors (nAChRs) expressed in the nervous and immune systems have been suggested to play important roles in the control of inflammation. However, the lack of antagonist tools specifically inhibiting α7 nAChR impedes the validation of the channel as therapeutic target. To discover a selective α7 antagonist, we started a pharmacophore-based virtual screening and identified a piperidine-spirooxadiazole derivative T761–0184 that acts as a α7 antagonist. A series of novel piperidine-spirooxadiazole derivatives were subsequently synthesized and evaluated using two-electrode voltage clamp (TEVC) assay in Xenopus oocytes. Lead compounds from two series inhibited α7 with their IC50 values ranging from 3.3 μM to 13.7 μM. Compound B10 exhibited α7 selectivity over other α4β2 and α3β4 nAChR subtypes. The analysis of structure-activity relationship (SAR) provides valuable insights for further development of selective α7 nAChR antagonists.

COMPOUNDS AND USES THEREOF

The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.