5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole

Base Information

• Chemical Name: 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole
• CAS No.: 24097-20-9
• Molecular Formula: C16H12 Cl N O2
• Molecular Weight: 285.73
• NSC Number: 129398
• DSSTox Substance ID: DTXSID40299315
• Wikidata: Q82041628
• ChEMBL ID: CHEMBL2086719
• Mol file: 24097-20-9.mol

Synonyms:24097-20-9;5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole;5-(4-Chlorophenyl)-3-(4-methoxyphenyl)isoxazole;NSC129398;CHEMBL2086719;DTXSID40299315;NSC-129398;Isoxazole, 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-

Chemical Property of 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole

Chemical Property:

• Vapor Pressure: 5.74E-08mmHg at 25°C
• Melting Point: 185-186 °C
• Boiling Point: 453°C at 760 mmHg
• PKA: -2.59±0.25(Predicted)
• Flash Point: 227.8°C
• PSA: 35.26000
• Density: 1.231g/cm³
• LogP: 4.67060
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 285.0556563
• Heavy Atom Count: 20
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl

Technology Process of 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole

There total 10 articles about 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole 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: 91.0%

3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime → 5-(4-chlorophenyl)-3-(4-methoxyphenyl)isoxazole (24097-20-9)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In neat (no solvent);

DOI:10.1016/j.cclet.2013.07.022

Reference yield: 70.0%

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole (107095-25-0) → 5-(4-chlorophenyl)-3-(4-methoxyphenyl)isoxazole (24097-20-9)

Guidance literature:

With manganese(IV) oxide; magnesium sulfate; In benzene; at 100 ℃; for 1.5h; Sealed vial; Microwave irradiation;

DOI:10.1016/j.bmc.2012.05.069

Reference yield:

p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9) → 5-(4-chlorophenyl)-3-(4-methoxyphenyl)isoxazole (24097-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / N-chlorosuccinimide / dimethylformamide / 0 °C

2: triethylamine / ethyl acetate

With N-chloro-succinimide; triethylamine; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.05.080

upstream raw materials:

Methyl 4-chlorobenzoate

4-methoxyacetophenone oxime

4-n-chlorophenylacetylene

N-hydroxy-4-methoxy-benzenecarboximidoyl chloride

Downstream raw materials:

4-[5-(4-chloro-phenyl)-isoxazol-3-yl]-phenol

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