5-Methyl-3-phenyl-4-isoxazolecarbonitrile

Base Information

• Chemical Name: 5-Methyl-3-phenyl-4-isoxazolecarbonitrile
• CAS No.: 24400-67-7
• Molecular Formula: C11H8N2O
• Molecular Weight: 184.197
• DSSTox Substance ID: DTXSID90361253
• Nikkaji Number: J2.243.437C
• Wikidata: Q82143507
• Mol file: 24400-67-7.mol

Synonyms:24400-67-7;5-methyl-3-phenyl-4-isoxazolecarbonitrile;5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile;5-methyl-3-phenylisoxazole-4-carbonitrile;Bionet2_000027;DTXSID90361253;HMS1364B05;MFCD00172106;AKOS006271608;3-Phenyl-5-methylisoxazole-4-carbonitrile;10B-058;5-methyl-3-phenyl-4-isoxazolecarbonitrile, AldrichCPR

Chemical Property of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C#N

Technology Process of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile

There total 1 articles about 5-Methyl-3-phenyl-4-isoxazolecarbonitrile 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:

5-methyl-3-phenylisoxazole-4-carboxamide (4340-44-7) → 5-methyl-3-phenylisoxazole-4-carbonitrile (24400-67-7)

Guidance literature:

With phosphorus pentoxide; at 200 ℃;

Reference yield: 83.0%

5-methyl-3-phenylisoxazole-4-carbonitrile (24400-67-7) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (E)-5-(2-(dimethylamino)vinyl)-3-phenylisoxazole-4-carbonitrile (1610688-92-0)

Guidance literature:

With 1-methyl-1H-imidazole; at 80 ℃; for 6h;

DOI:10.1016/j.tet.2014.04.015

Reference yield: 75.0%

5-methyl-3-phenylisoxazole-4-carbonitrile (24400-67-7) → 5-amino-4-ethyl-3-phenylisoxazole (91084-69-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 6h;

DOI:10.1021/jo00192a048

upstream raw materials:

5-methyl-3-phenylisoxazole-4-carboxamide

Downstream raw materials:

3-phenyl-5-styrylisoxazole-4-carbonitrile

5-Ethyl-5-methyl-3-phenyl-2,5-dihydro-isoxazole-4-carbonitrile

5-amino-4-ethyl-3-phenylisoxazole

C₁₁H₁₀⁽²⁾H₂N₂O