3-Hydroxy-5-(4-chlorophenyl)isoxazole

Base Information

• Chemical Name: 3-Hydroxy-5-(4-chlorophenyl)isoxazole
• CAS No.: 14723-58-1
• Molecular Formula: C9H6ClNO2
• Molecular Weight: 195.605
• European Community (EC) Number: 837-673-2
• ChEMBL ID: CHEMBL3277006
• Mol file: 14723-58-1.mol

Synonyms:14723-58-1;3-hydroxy-5-(4-chlorophenyl)isoxazole;5-(4-Chlorophenyl)isoxazol-3-ol;5-(4-chlorophenyl)-1,2-oxazol-3-one;CHEMBL3277006;SCHEMBL6938529;DLYXFWMNCVTAMQ-UHFFFAOYSA-N;BDBM50554487;5-(4-Chlorophenyl)-3-hydroxyisoxazole;5-(p-Chlorophenyl)-3-hydroxyisoxazole;5-(4-chlorophenyl)-1,2-oxazol-3-ol;5-(4-Chlorophenyl)-3(2h)-isoxazolone;DB-154594;EN300-7354626

Chemical Property of 3-Hydroxy-5-(4-chlorophenyl)isoxazole

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.0087061
• Heavy Atom Count: 13
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)NO2)Cl

Technology Process of 3-Hydroxy-5-(4-chlorophenyl)isoxazole

There total 3 articles about 3-Hydroxy-5-(4-chlorophenyl)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: 85.0%

aqueous hydroxylamine hydrochloride + α,β-dibromo-4-chlorocinnamic acid ethyl ester → 3-hydroxy-5-(4-chlorophenyl)isoxazole (14723-58-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; methanol; water;

Reference yield:

ethyl 3-(4-chlorophenyl)propiolate (20026-96-4) → 3-hydroxy-5-(4-chlorophenyl)isoxazole (14723-58-1)

Guidance literature:

Multistep reaction; (i) NH₂OH*HCl, aq. NaOH, EtOH, (ii) aq. HCl;

Reference yield:

→ 3-hydroxy-5-(4-chlorophenyl)isoxazole (14723-58-1)

Guidance literature:

entspr. Dibromester, Hydroxylamin;

upstream raw materials:

ethyl 3-(4-chlorophenyl)propiolate

Downstream raw materials:

Methyl E-2-methoxyimino-2-[(2-[5-(4-chlorophenyl)isoxazol-3-yl]oxymethyl)phenyl]acetate