3-(5-Chloro-2-methoxyphenyl)-5-methyl-4-isoxazolemethanol

Base Information

• Chemical Name: 3-(5-Chloro-2-methoxyphenyl)-5-methyl-4-isoxazolemethanol
• CAS No.: 495417-34-0
• Molecular Formula: C12H12ClNO3
• Molecular Weight: 253.685
• DSSTox Substance ID: DTXSID101196613
• Mol file: 495417-34-0.mol

Synonyms:495417-34-0;3-(5-Chloro-2-methoxyphenyl)-5-methyl-4-isoxazolemethanol;DTXSID101196613

Chemical Property of 3-(5-Chloro-2-methoxyphenyl)-5-methyl-4-isoxazolemethanol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 253.0505709
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC(=C2)Cl)OC)CO

Technology Process of 3-(5-Chloro-2-methoxyphenyl)-5-methyl-4-isoxazolemethanol

There total 1 articles about 3-(5-Chloro-2-methoxyphenyl)-5-methyl-4-isoxazolemethanol 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: 87.0%

ethyl 3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carboxylate (495417-29-3) → 3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carbonol (495417-34-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 20h;

DOI:10.1021/jm020354w

Reference yield: 86.0%

3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carbonol (495417-34-0) → 3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carboxaldehyde (495417-38-4)

Guidance literature:

With magnesium sulfate; pyridinium chlorochromate; In dichloromethane; for 2h;

DOI:10.1021/jm020354w

Reference yield:

3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carbonol (495417-34-0) → 4-[3-(5-chloro-2-methoxy-phenyl)-5-methyl-isoxazol-4-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / pyridinium chlorochromate; MgSO₄ / CH₂Cl₂ / 2 h

2: 39 percent / aq. NH₃ / ethanol / 48 h / Heating

With ammonium hydroxide; magnesium sulfate; pyridinium chlorochromate; In ethanol; dichloromethane;

DOI:10.1021/jm020354w

upstream raw materials:

ethyl 3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carboxylate

Downstream raw materials:

3-(5-chloro-2-methoxyphenyl)-5-methylisoxazole-4-carboxaldehyde