221347-71-3

Basic information

• Product Name: 5-Fluorobenzoxazole
• Synonyms: 5-FLUOROBENZOXAZOLE 99;5-Fluorobenzoxazole 99%;Benzoxazole,5-fluoro-(9CI);5-Fluorobenzoxazole;5-Fluorobenzo[d]oxazole;5-Fluoro-1,3-benzoxazole 97+%;5-fluoro-1,3-benzoxazole
• CAS NO: 221347-71-3
• Molecular Formula: C7H4FNO
• Molecular Weight: 137.11
• Product Categories: HALIDE;API intermediates
• Mol File: 221347-71-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 188.186 °C at 760 mmHg
• Flash Point: 67.613 °C
• Appearance: /
• Density: 1.321 g/cm³
• CAS DataBase Reference: 5-Fluorobenzoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Fluorobenzoxazole(221347-71-3)
• EPA Substance Registry System: 5-Fluorobenzoxazole(221347-71-3)

Safety Data

• Hazardous Substances Data: 221347-71-3(Hazardous Substances Data)

Usage

General Description

5-Fluorobenzoxazole, also known as 5-fluoro-1,3-benzoxazole, is a chemical compound with the molecular formula C7H4FNO. It is a fluorine-substituted derivative of benzoxazole, which is a heterocyclic aromatic compound. 5-Fluorobenzoxazole is commonly used in organic synthesis and medicinal chemistry as a building block for the synthesis of various pharmaceuticals and agrochemicals. It has also been studied for its potential pharmacological properties, including its antimicrobial and anticancer activities. The compound has a characteristic aromatic structure and is typically synthesized by the substitution reaction of 5-aminobenzoxazole with a fluorine-containing reagent. Its chemical properties and reactivity make it a valuable intermediate in the production of diverse organic compounds.

Upstream product

• 399-97-3 2-amino-4-fluorophenol 
• 122-51-0 orthoformic acid triethyl ester 
• 394-33-2 2-nitro-4-fluorophenol 
• 124-38-9 carbon dioxide 
• 149-73-5 trimethyl orthoformate 
• 273-53-0 benzoxazole 

Downstream Products

• 1207429-57-9 5-fluoro-2-(4-methylphenyl)benzoxazole 
• 1049032-77-0 5-fluoro-2-(2-methoxyphenyl)benzoxazole 
• 1519829-39-0 C₁₄H₇FN₂O 

Relevant articles and documents

Electrolytic partial fluorination of organic compounds. Part 29. Anodic mono- and difluorination of 2-benzoxazolyl sulfides

Anodic fluorination of 2-benzoxazolyl sulfides using various fluoride salts and dimethoxyethane as a supporting electrolyte and a solvent, respectively, resulted in the formation of the corresponding mono- and difluorinated products in reasonable yields. The monofluorination took place selectively at the position α to the sulfur atom while the difluorination resulted at both the α-position and the benzene ring while the expected α,α-difluorination did not take place at all. Moreover, anodic fluorination of the electrolytic solvent, DME, which has never been reported so far, was also observed as a side-reaction and this fluorination was further confirmed by carrying out anodic fluorination of DME itself in the absence of a substrate sulfide.

Cu-Catalyzed Direct C-P Bond Formation through Dehydrogenative Cross-Coupling Reactions between Azoles and Dialkyl Phosphites

A direct dehydrogenative cross-coupling of azoles [C(sp2)-H] with dialkyl phosphites [P(O)-H] to access 2-phosphonated azoles using Cu(I)/Cu(II) as catalyst and K2S2O8/di-tert-butylperoxide as oxidant has been achieved. A remarkable advantage over reported procedures includes that oxazoles, imidazoles, benz(ox/othi/imid)azoles, and indole are found to react under optimized reaction conditions to provide corresponding adducts in high yields. The mechanistic insight of cross-coupling was obtained by deuterium kinetic isotope effect studies.

Method for synthesizing benzoxazole through microwave radiation of benzamide compound in water phase

The invention discloses a method for synthesizing benzoxazole through microwave radiation of a benzamide compound in a water phase. The benzamide compound is added into the water phase under the microwave condition to be subjected to a cyclization reaction for generating the benzoxazole under the alkali condition, and the method for preparing the benzoxazole is environmentally friendly, easy and convenient to operate, safe, low in cost and efficient. Compared with the prior art, the method can be applied to a large number of functional groups, the yield is high, the number of by-products is small, and the method is easy to operate, safe, low in cost and environmentally friendly. (Please see the specifications for the formula).