3672-51-3

Basic information

• Product Name: 3-Phenyl-5-(4-methoxyphenyl)isoxazole
• Synonyms: 3-Phenyl-5-(4-methoxyphenyl)isoxazole;5-(4-Methoxyphenyl)-3-phenylisoxazole
• CAS NO: 3672-51-3
• Molecular Formula: C₁₆H₁₃NO₂
• Molecular Weight: 251.2799
• Mol File: 3672-51-3.mol
• Article Data: 34

Chemical Properties

• Boiling Point: 429.3°Cat760mmHg
• Flash Point: 213.4°C
• Appearance: /
• Density: 1.142g/cm³
• Vapor Pressure: 3.55E-07mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 3-Phenyl-5-(4-methoxyphenyl)isoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Phenyl-5-(4-methoxyphenyl)isoxazole(3672-51-3)
• EPA Substance Registry System: 3-Phenyl-5-(4-methoxyphenyl)isoxazole(3672-51-3)

Safety Data

• Hazardous Substances Data: 3672-51-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H13NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-11H,1H3

Upstream product

• 873-67-6 benzonitrile oxide 
• 768-60-5 4-methoxyphenylacetylen 
• 20442-66-4 3-(4-methoxyphenyl)-1-phenylprop-2-yn-1-one 
• 6327-79-3 1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione 
• 60-29-7 diethyl ether 
• 698-16-8 benzohydroximoyl chloride 
• 64-17-5 ethanol 
• 67-56-1 methanol 
• 127-09-3 sodium acetate 
• 16616-43-6 1-(4-methoxy-phenyl)-3-phenyl-propynone 
• 7803-49-8 hydroxylamine 
• 959-33-1 3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one 
• 50793-44-7 2-bromo-3-(4-methoxyphenyl)-1-phenyl-2-propen-1-one 
• 100-07-2 4-methoxy-benzoyl chloride 

Downstream Products

• 623548-08-3 4-iodo-5-(4-methoxyphenyl)-3-phenylisoxazole 
• 22439-71-0 4-(3-phenyl-isoxazol-5-yl)-phenol 
• 80223-09-2 5-(4-Methoxy-phenyl)-2-methyl-3-phenyl-isoxazol-2-ium; iodide 

Relevant articles and documents

3, 5-disubstituted isoxazole derivative and synthesis method thereof

The invention provides a 3, 5-disubstituted isoxazole derivative and a synthesis method thereof, and belongs to the technical field of organic synthesis medicines and medical intermediates. The method comprises the following steps: adding a proper solvent

Complementary and Regioselective Synthesis of Isomeric 3-[Isoxazol-3(or 5)-yl]indoles from β-Ethylthio-β-indolyl-α,β-unsaturated Ketones

A simple and efficient method for the complementary and regioselective synthesis of isomeric 3-(isoxazol-5-yl)indoles and 3-(isoxazol-3-yl)indoles has been developed by the regioselective cyclocondensation reaction of β-ethylthio-β-indolyl-α,β-unsaturated ketones and hydroxylamine hydrochloride. It was found that the cyclocondensation reaction in the presence of excess NaOEt in refluxing EtOH gives 3-(isoxazol-5-yl)indoles in good yields, whereas using NaOAc in boiling AcOH gives 3-(isoxazol-3-yl)indoles in good yields.

One-pot regioselective synthesis of substituted pyrazoles and isoxazoles in PEG-400/water medium by Cu-free nano-Pd catalyzed sequential acyl Sonogashira coupling-intramolecular cyclization

Catalyst efficacy of in situ generated Pd-nanoparticles (PdNPs) in the regioselective one-pot synthesis of 3,5-di & 3,4,5-trisubstituted pyrazoles and 3,5-disubstituted isoxazoles in environmentally benign PEG-400/H2O medium, which involves the sequential (i) Cu-free acyl-Sonogashira coupling (ASC) and (ii) intramolecular ynone-amine cyclization under PTC conditions was described. The results of controlled experiments support the operation of two sequential catalytic cycles (ASC/cyclization) and achievement of complementary/opposite regioselectivity via ynone-bound palladium in a one-pot approach. Moreover, the in situ PdNPs recovered after the first catalytic cycle of the one-pot reaction sequence have been reused again five times successively. Besides, prior to the above studies, the efficacy of some common Pd-N-heterocyclic carbene (Pd-NHC) complexes in catalyzing the same one-pot two-step reaction sequence (Cu-free ASC/cyclization) both in water and organic solvents was also optimized. In situ generation of PdNPs from above Pd-NHCs in water was also identified, but they are not reusable due to their large size distribution.