1008-75-9

Basic information

• Product Name: 3-METHYL-5-PHENYLISOXAZOLE
• Synonyms: Isoxazole, 3-methyl-5-phenyl- (6CI,7CI,8CI,9CI);3-Methyl-5-phenylisoxazole ,97%;5-Phenyl-3-methylisoxazole;3-methyl-5-phenyl-1,2-oxazole;3-methyl-5-phenyloxazole
• CAS NO: 1008-75-9
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.19
• Product Categories: OXAZOLE;Building Blocks;Heterocyclic Building Blocks;Isoxazoles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 1008-75-9.mol
• Article Data: 54

Chemical Properties

• Melting Point: 63-68 °C
• Boiling Point: 262-264 °C/760 mmHg
• Flash Point: 112.7°C
• Appearance: /
• Density: 1.082g/cm³
• Vapor Pressure: 0.00668mmHg at 25°C
• Refractive Index: 1.539
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -2.38±0.28(Predicted)
• CAS DataBase Reference: 3-METHYL-5-PHENYLISOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-5-PHENYLISOXAZOLE(1008-75-9)
• EPA Substance Registry System: 3-METHYL-5-PHENYLISOXAZOLE(1008-75-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 1008-75-9(Hazardous Substances Data)

Usage

Chemical Properties

White crystal

Uses

3-Methyl-5-phenylisoxazole can be used for Aminopeptidase A inhibitors.

InChI:InChI=1/C10H9NO/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3

Upstream product

• 3163-99-3 3-methoxycarbonyloxy-1-phenyl-but-2-en-1-one 
• 22606-42-4 hydroxylamine acetate 
• 17153-21-8 3-methyl-5-phenyl-isoxazole-4-carboxylic acid 
• 1817-57-8 4-phenyl-3-butyne-2-one 
• 108-86-1 bromobenzene 
• 126085-89-0 3-methyl-5-(tributylstannyl)isoxazole 
• 13387-22-9 4-phenyl-3-buten-2-one oxime 
• 1199-95-7 1-(trimethylstannyl)-2-phenylethyne 
• 7063-95-8 acetonitrile-N-oxide 
• 7647-01-0 hydrogenchloride 
• 64-18-6 formic acid 
• 683-58-9 acetohydroximoyl chloride 
• 7803-49-8 hydroxylamine 
• 93-91-4 1-phenylbutan-1,3-dione 

Downstream Products

• 59997-49-8 Verbdg_. s.n.F 
• 59997-50-1 (E)-3-tert-Butoxy-3-methylamino-1-phenyl-propenone 
• 1846-33-9 N-phenacylacetamide 
• 197852-01-0 N-methyl-3-oxo-3-phenylpropanamide 
• 26346-42-9 3,4-dichloro-3-methyl-5-phenyl-3H-isoxazol-2-ol 
• 64656-94-6 4-(3-methyl-isoxazol-5-yl)-aniline 
• 1188281-42-6 3-(3-methyl-5-phenylisoxazol-4-yl)pyridine 
• 1188281-43-7 3-(3-methyl-5-phenylisoxazol-4-yl)quinoline 
• 1188281-44-8 4-(3-methyl-5-phenylisoxazol-4-yl)isoquinoline 
• 1188281-36-8 4-(4-methoxyphenyl)-3-methyl-5-phenylisoxazole 
• 1188281-39-1 3-methyl-5-phenyl-4-m-tolylisoxazole 
• 1188281-41-5 3-methyl-4-(naphthalen-1-yl)-5-phenylisoxazole 
• 1188281-31-3 4-(3-methyl-5-phenylisoxazol-4-yl)benzonitrile 
• 1188281-40-4 2-(3-methyl-5-phenylisoxazol-4-yl)benzonitrile 

Relevant articles and documents

Convenient synthesis of 3,5-disubstituted isoxazoles

α,β-Unsaturated oximes obtained from the corresponding α,β-unsaturated ketones on treatment with 2 equivalents of manganese dioxide in refluxing chloroform gives 3,5-disubstituted isoxazoles in good yields. Copyright Taylor & Francis Group, LLC.

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An improved method for preparation of nitrile oxides from nitroalkanes for in situ dipolar cycloadditions

A new method has been found for generation of nitrile oxides in situ from nitroalkanes under mild conditions. Thus, reaction of nitroalkanes 1 with di-tert-butyl dicarbonate (2) and 4-dimethylaminopyridine (3) as catalyst in the presence of dipolarophiles

A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles

Tetrasubstituted imidazoles can be formed in a photochemical one-pot synthesis from aldehydes, α-aminonitriles, and isoxazoles. Condensation of the first two components produces α-(alkylideneamino)nitriles which react under basic conditions with the acylazirines formed in situ by photochemical ring transformation of the isoxazole component. This process includes an unusual cleavage of the C2-C3 bond of the acylazirine. The reaction mechanism was studied by DFT calculations. (Chemical Equation Presented)

Synthesis of isoxazole derivatives by means of O-acylation of aliphatic nitro compounds in the presence of acetylenic compounds

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NHC-palladium-catalyzed ionic liquid-accelerated regioselective oxyarylation of alkynes with diaryl ethers?

The first NHC-palladium-catalyzed regioselective oxyarylation of oxime ether in a task-specific ionic liquid via C(sp3)-O and C(sp2)-O bond cleavage of two different types of ethers for the assembly of structurally diverse 4-arylisoxazoles is described. Both the basic ionic liquid [C3NH2mim]Br and NHC-Pd catalyst IPr-Pd-Im-Cl2 played an important role in this transformation. Notably, this new approach provides a practical and straightforward route to access a broad range of privileged 4-arylisoxazole structures with good yields and excellent regioselectivities. Significantly, this catalytic system can be recycled up to eight times without significant loss of catalytic activity.

A Reusable CNT-Supported Single-Atom Iron Catalyst for the Highly Efficient Synthesis of C?N Bonds

C?N bond formation is regarded as a very useful and fundamental reaction for the synthesis of nitrogen-containing molecules in both organic and pharmaceutical chemistry. Noble-metal and homogeneous catalysts have frequently been used for C?N bond formatio