Isoxazole, 3-(bromomethyl)-5-phenyl-

Base Information

• Chemical Name: Isoxazole, 3-(bromomethyl)-5-phenyl-
• CAS No.: 154016-50-9
• Molecular Formula: C10H8BrNO
• Molecular Weight: 238.084
• Mol file: 154016-50-9.mol

Synonyms:3-Bromomethyl-5-phenyl-isoxazole;

Chemical Property of Isoxazole, 3-(bromomethyl)-5-phenyl-

Chemical Property:

• PSA: 26.03000
• LogP: 3.23650

Purity/Quality:

98%min ^*data from raw suppliers

3-(BROMOMETHYL)-5-PHENYLISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Isoxazole, 3-(bromomethyl)-5-phenyl-

There total 7 articles about Isoxazole, 3-(bromomethyl)-5-phenyl- 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: 97.0%

(5-phenylisoxazol-3-yl)methanol (1619-37-0) → 3-(bromomethyl)-5-phenylisoxazole (154016-50-9)

Guidance literature:

With triphenylphosphine dibromide 1:1 addition complex; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)60386-6

Reference yield:

ethyl 5-phenylisoxazole-3-carboxylate (7063-99-2) → 3-(bromomethyl)-5-phenylisoxazole (154016-50-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / LiAlH₄ / tetrahydrofuran / 0.5 h / -78 °C

2: 97 percent / Ph₃PBr₂ / CH₂Cl₂ / 1 h / Ambient temperature

With lithium aluminium tetrahydride; triphenylphosphine dibromide 1:1 addition complex; In tetrahydrofuran; dichloromethane;

DOI:10.1016/S0040-4039(00)60386-6

Reference yield:

ethyl 2,4-dioxo-4-phenylbutyrate (6296-54-4) → 3-(bromomethyl)-5-phenylisoxazole (154016-50-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / NH₂OH*HCl / ethanol / 2 h / Heating

2: 95 percent / LiAlH₄ / tetrahydrofuran / 0.5 h / -78 °C

3: 97 percent / Ph₃PBr₂ / CH₂Cl₂ / 1 h / Ambient temperature

With lithium aluminium tetrahydride; hydroxylamine hydrochloride; triphenylphosphine dibromide 1:1 addition complex; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1016/S0040-4039(00)60386-6

upstream raw materials:

(5-phenylisoxazol-3-yl)methanol

ethyl 5-phenylisoxazole-3-carboxylate

ethyl 2,4-dioxo-4-phenylbutyrate

acetophenone

Downstream raw materials:

Methyl 3-(6-aminopyridin-3-yl)-2-[1-(5-phenylisoxazol-3-ylmethyl)-1H-imidazol-4-yl]propionate

Br^(1-)*C₃₁H₃₈N₃O₃⁽¹⁺⁾

(5-phenyl-isoxazol-3-yl)methylamine

3-(azidomethyl)-5-phenylisoxazole