5-(2-Chlorophenyl)-3-methyl-1,2-oxazole-4-carbonitrile

Base Information

• Chemical Name: 5-(2-Chlorophenyl)-3-methyl-1,2-oxazole-4-carbonitrile
• CAS No.: 62219-88-9
• Molecular Formula: C₁₁H₇ClN₂O
• Molecular Weight: 218.642
• DSSTox Substance ID: DTXSID80491795
• Wikidata: Q82336785

Synonyms:62219-88-9;5-(2-Chlorophenyl)-3-methylisoxazole-4-carbonitrile;5-(2-Chlorophenyl)-3-methyl-1,2-oxazole-4-carbonitrile;DTXSID80491795

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

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.0246905
• Heavy Atom Count: 15
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(=C1C#N)C2=CC=CC=C2Cl

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

There total 3 articles about 5-(2-Chlorophenyl)-3-methyl-1,2-oxazole-4-carbonitrile 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:

3-acetyl-4-(2-chloro-phenyl)-2-oxo-but-3-enoic acid (61253-64-3) → 5-(2-chloro-phenyl)-3-methyl-isoxazole-4-carbonitrile (62219-88-9)

Guidance literature:

With hydroxylamine; In acetic acid; for 24h; Heating;

Reference yield:

[5-(2-chloro-phenyl)-3-methyl-4,5-dihydro-isoxazol-4-yl]-hydroxyimino-acetic acid (62219-85-6) → 5-(2-chloro-phenyl)-3-methyl-isoxazole-4-carbonitrile (62219-88-9)

Guidance literature:

at 170 - 175 ℃;

Reference yield:

→ 5-(2-chloro-phenyl)-3-methyl-isoxazole-4-carbonitrile (62219-88-9)

Guidance literature:

Saeure 1, Hydroxylaminhydrochlorid, Essigsaeure;

DOI:10.1016/0040-4039(76)80185-2

upstream raw materials:

3-acetyl-4-(2-chloro-phenyl)-2-oxo-but-3-enoic acid

[5-(2-chloro-phenyl)-3-methyl-4,5-dihydro-isoxazol-4-yl]-hydroxyimino-acetic acid

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