methyl 4-bromo-5-methyl-3-isoxazolecarboxylate(SALTDATA: FREE)

Base Information

• Chemical Name: methyl 4-bromo-5-methyl-3-isoxazolecarboxylate(SALTDATA: FREE)
• CAS No.: 850832-54-1
• Molecular Formula: C6H6BrNO3
• Molecular Weight: 220.023
• Hs Code.: 2934999090
• Mol file: 850832-54-1.mol

Synonyms:methyl 4-bromo-5-methylisoxazole-3-carboxylate;

Chemical Property of methyl 4-bromo-5-methyl-3-isoxazolecarboxylate(SALTDATA: FREE)

Chemical Property:

• PSA: 52.33000
• LogP: 1.53210
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

NLT 98% ^*data from raw suppliers

Methyl4-bromo-5-methylisoxazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of methyl 4-bromo-5-methyl-3-isoxazolecarboxylate(SALTDATA: FREE)

There total 2 articles about methyl 4-bromo-5-methyl-3-isoxazolecarboxylate(SALTDATA: FREE) 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: 60.0%

methyl 5-methylisoxazole-3-carboxylate (19788-35-3) → methyl 4-bromo-5-methyl-isoxazole-3-carboxylate (850832-54-1)

Guidance literature:

With bromine; In chloroform; for 3h; Heating / reflux;

Reference yield:

methyl 2,4-dioxopentanoate (20577-61-1) → methyl 4-bromo-5-methyl-isoxazole-3-carboxylate (850832-54-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride / methanol / 16 h / Inert atmosphere; Reflux

2: N-Bromosuccinimide / trifluoroacetic acid / 16 h / Inert atmosphere; Reflux

With N-Bromosuccinimide; hydroxylamine hydrochloride; In methanol; trifluoroacetic acid;

DOI:10.1021/acs.jmedchem.8b00832

Reference yield: 76.0%

methyl 4-bromo-5-methyl-isoxazole-3-carboxylate (850832-54-1) + ethanol (64-17-5) + C9H10BF3NO2(1-)*K(1+) → ethyl 4-[4-[methoxy(methyl)carbamoyl]phenyl]-5-methyl-isoxazole-3-carboxylate

Guidance literature:

With chloro(2-dicyclohexylphosphino-2′,6′-diisopropoxy-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); sodium carbonate; at 85 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1021/ol503479g

upstream raw materials:

methyl 5-methylisoxazole-3-carboxylate

methyl 2,4-dioxopentanoate

Downstream raw materials:

methyl 4-(1-(4-chlorobenzyl)-6-oxo-1,6-dihydropyridin-3-yl)-5-methylisoxazole-3-carboxylate

2-naphthaleneacetonitrile

ethyl 5-methylisoxazole-3-carboxylate

4,4'-diacetylbiphenyl

Refernces

• 1、 -. "LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER". Page/Page column 185. . Retrieved 2010/02/11.