840-58-4

Basic information

• Product Name: 2-(4-NITRO-PHENYL)-BENZOOXAZOLE
• Synonyms: 2-(4-NITRO-PHENYL)-BENZOOXAZOLE;2-(4-Nitrophenyl)benzoxazole
• CAS NO: 840-58-4
• Molecular Formula: C₁₃H₈N₂O₃
• Molecular Weight: 240.21422
• Mol File: 840-58-4.mol
• Article Data: 106

Chemical Properties

• Melting Point: 260 °C(Solv: chloroform (67-66-3))
• Boiling Point: 379.4°C at 760 mmHg
• Flash Point: 183.2°C
• Appearance: /
• Density: 1.359g/cm³
• Vapor Pressure: 1.28E-05mmHg at 25°C
• Refractive Index: 1.665
• PKA: 0.55±0.10(Predicted)
• CAS DataBase Reference: 2-(4-NITRO-PHENYL)-BENZOOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-NITRO-PHENYL)-BENZOOXAZOLE(840-58-4)
• EPA Substance Registry System: 2-(4-NITRO-PHENYL)-BENZOOXAZOLE(840-58-4)

Safety Data

• Hazardous Substances Data: 840-58-4(Hazardous Substances Data)

Usage

General Description

2-(4-NITRO-PHENYL)-BENZOOXAZOLE is a chemical compound with the molecular formula C14H9NO3. It is a benzooxazole derivative with a nitrophenyl group attached to the benzene ring. 2-(4-NITRO-PHENYL)-BENZOOXAZOLE may be used in organic synthesis as a building block for the preparation of other chemical compounds. It has a wide range of potential applications in the fields of pharmaceuticals, agrochemicals, and materials science. 2-(4-NITRO-PHENYL)-BENZOOXAZOLE may also have important biological activities and could be of interest in medicinal chemistry research. However, it is important to handle this compound with care, as it may pose risks to health and safety if not handled properly.

InChI:InChI=1/C13H8N2O3/c16-15(17)10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)18-13/h1-8H

Upstream product

• 3743-17-7 N-(2-hydroxy-phenyl)-4-nitro-benzamide 
• 314285-30-8 N-(2-iodophenyl)-4-nitrobenzamide 
• 273-53-0 benzoxazole 
• 24067-17-2 4-nitrophenylboronic acid 
• 456-27-9 4-nitrobenzenediazonium tetrafluoroborate 
• 533-58-4 2-Iodophenol 
• 15723-90-7 4-nitrobenzamidine hydrochloride 
• 615-36-1 2-bromoaniline 
• 122-04-3 4-nitro-benzoyl chloride 
• 62-23-7 4-nitro-benzoic acid 
• 95-55-6 2-amino-phenol 
• 619-73-8 4-nitrobenzyl chloride 
• 100-00-5 4-chlorobenzonitrile 
• 636-98-6 p-nitrobenzene iodide 

Downstream Products

• 20934-81-0 4-(benzo[d]oxazol-2-yl)aniline 
• 162374-61-0 -(4′-azidophenyl)benzoxazole 

Relevant articles and documents

Synthesis, Characterization and DFT-D Studies of 2-Aminoethoxycalix[4]resorcinarenes: A Novel Heterogeneous Organocatalyst

The present article reports the synthesis of two novel supramolecular architectures, Phenyl(octa-2-aminoethoxy)calix[4]resorcinarene and 2-Aminoethoxyphenyl-(octa-2-aminoethoxy)calix[4]resorcinarene via surface functionalization and describes their applic

Syntheses, characterization, and catalytic potential of novel vanadium and molybdenum Schiff base complexes for the preparation of benzimidazoles, benzoxazoles, and benzothiazoles under thermal and ultrasonic conditions

A new ONO-tridentate Schiff base ligand (H2L) derived from 3-methoxysalicylaldehyde and nicotinic hydrazide was synthesized and characterized by elemental analysis, FT-IR, 1H NMR, 13C NMR, UV–Vis, and powder XRD studies. Then, oxovanadium(V) and dioxomolybdenum(VI) Schiff base complexes, VOL and MoO2L, were also prepared and characterized by different techniques. Moreover, the catalytic activities of both complexes were investigated for the synthesis of benzimidazoles, benzoxazoles, and benzothiazoles under reflux conditions as well as through ultrasonic irradiation. The results revealed several advantages of this procedure, including high product yields, short reaction times, facile work-up procedure, simplicity in operation, eco-friendly reaction conditions, and green aspects by avoiding toxic catalysts and solvents. Graphic abstract: [Figure not available: see fulltext.]

An efficient rapid synthesis of benzoxazoles and benzothiazoles using pma.Sio2 at room temperature under heterogeneous conditions

Treatment of 2-aminophenol (or 2-aminothiophenol) with aromatic aldehydes in the presence of phosphomolybdic acid on silica at room temperature affords the corresponding benzoxazoles (or benzothiazoles) in excellent yields (88-96%) under heterogeneous conditions. Benzoxazoles and benzothiazoles are formed in less than 10 min.