3-(4-NITROPHENYL)ISOXAZOLE

Base Information

• Chemical Name: 3-(4-NITROPHENYL)ISOXAZOLE
• CAS No.: 4264-05-5
• Molecular Formula: C9H6 N2 O3
• Molecular Weight: 190.158
• Hs Code.: 2934999090
• Mol file: 4264-05-5.mol

Synonyms:Isoxazole,3-(p-nitrophenyl)- (7CI,8CI); 3-(p-Nitrophenyl)isoxazole

Chemical Property of 3-(4-NITROPHENYL)ISOXAZOLE

Chemical Property:

• Melting Point: 184 °C
• PSA: 71.85000
• LogP: 2.77300

Purity/Quality:

98% ^*data from raw suppliers

3-(4-Nitrophenyl)isoxazole >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-NITROPHENYL)ISOXAZOLE

There total 15 articles about 3-(4-NITROPHENYL)ISOXAZOLE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

3-(4-nitrophenyl)-5-hydroxy-4,5-dihydroisoxazole (112853-64-2) → 3-(p-nitrophenyl)isoxazole (4264-05-5)

Guidance literature:

With sodium methylate; In methanol; Heating;

DOI:10.1016/S0040-4020(01)86800-9

Reference yield: 90.0%

3-(4-Nitro-phenyl)-5-phenylsulfanyl-4,5-dihydro-isoxazole → 3-(p-nitrophenyl)isoxazole (4264-05-5)

Guidance literature:

With formic acid; dihydrogen peroxide; at 20 ℃; for 4.75h;

Reference yield: 88.0%

3-(4-nitrophenyl)-2-propenal (1734-79-8) → 3-(p-nitrophenyl)isoxazole (4264-05-5)

Guidance literature:

3-(4-nitrophenyl)-2-propenal; With p-toluenesulfonylhydroxylamine; potassium carbonate; In methanol; water; at 20 ℃; for 1h;

With potassium carbonate; In methanol; water; at 60 ℃; for 1h; regioselective reaction;

DOI:10.1021/ol901626n

upstream raw materials:

3-phenylisoxazole

vinyl acetate

4-nitrobenzohydroximoyl chloride

dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

Downstream raw materials:

4-(isoxazol-3-yl)aniline

3-(2,4-dinitro-phenyl)-4-nitro-isoxazole

Refernces

• 1、 Tang, Shibing,He, Jinmei,Sun, Yongquan,He, Liuer,She, Xuegong. "Efficient and regioselective synthesis of 5-hydroxy-2-isoxazolines: Versatile synthons for isoxazoles, β-lactams, and γ-amino alcohols". scheme or table. p. 1961 - 1966. Retrieved 2010/06/20.
• 2、 Schofield, Mark H.,Sorel, Marie-Adele,Manalansan, Ryan J.,Richardson, David P.,Markgraf, J. Hodge. "Substituent effects on 15N and 13C NMR chemical shifts of 3-phenylisoxazoles: A theoretical and spectroscopic study". . p. 851 - 855. Retrieved 2007/10/03.