4-BroMo-5-Methyl-3-phenylisoxazole

Base Information

• Chemical Name: 4-BroMo-5-Methyl-3-phenylisoxazole
• CAS No.: 31295-65-5
• Molecular Formula: C10H8BrNO
• Molecular Weight: 238.084
• Hs Code.: 2934999090
• Mol file: 31295-65-5.mol

Synonyms:4-bromo-5-methyl-3-phenyl-isoxazole;4-Brom-5-methyl-3-phenyl-isoxazol;2-Phenyl-3-brom-4-methylisoxazol;3-Phenyl-4-brom-5-methylisoxazol;Isoxazole,4-bromo-5-methyl-3-phenyl;

Chemical Property of 4-BroMo-5-Methyl-3-phenylisoxazole

Chemical Property:

• Boiling Point: 319.6±37.0 °C(Predicted)
• PKA: -4.18±0.50(Predicted)
• PSA: 26.03000
• Density: 1.458±0.06 g/cm3(Predicted)
• LogP: 3.41250
• Storage Temp.: 2-8°C

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

4-Bromo-5-methyl-3-phenylisoxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BroMo-5-Methyl-3-phenylisoxazole

There total 7 articles about 4-BroMo-5-Methyl-3-phenylisoxazole 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: 93.0%

5-methyl-3-phenylisoxazole (1008-74-8) → 4-bromo-5-methyl-3-phenylisoxazole (31295-65-5)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/ol502246t

Reference yield:

1-phenyl-but-3-en-1-one oxime (68843-67-4) → 4-bromo-5-methyl-3-phenylisoxazole (31295-65-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; silver carbonate / chlorobenzene / 3 h / 70 °C

2: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C

With N-Bromosuccinimide; palladium diacetate; silver carbonate; In N,N-dimethyl-formamide; chlorobenzene;

DOI:10.1021/ol502246t

Reference yield:

1-Phenyl-3-buten-1-ol (80735-94-0,936-58-3) → 4-bromo-5-methyl-3-phenylisoxazole (31295-65-5)

Guidance literature:

Multi-step reaction with 4 steps

1: Jones reagent / diethyl ether / 1 h / 0 - 20 °C

2: hydroxylamine hydrochloride; sodium acetate / water; ethanol / 20 °C

3: palladium diacetate; silver carbonate / chlorobenzene / 3 h / 70 °C

4: N-Bromosuccinimide / N,N-dimethyl-formamide / 2 h / 20 °C

With N-Bromosuccinimide; Jones reagent; hydroxylamine hydrochloride; sodium acetate; palladium diacetate; silver carbonate; In diethyl ether; ethanol; water; N,N-dimethyl-formamide; chlorobenzene;

DOI:10.1021/ol502246t

upstream raw materials:

5-methyl-3-phenylisoxazole

5-hydroxy-5-methyl-3-phenyl-4,5-dihydro-2-isoxazole

acetophenone oxime

1-phenyl-but-3-en-1-one oxime

Downstream raw materials:

2-fluorobenzenesulfonamide

C₁₀H₁₀BNO₃

valdecoxib

methyl 5-methyl-3-phenylisoxazole-4-carboxylate

Refernces

• 1、 -. "KINASE INHIBITORS". Page/Page column 47. . Retrieved 2010/02/13.