5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-

Base Information

• Chemical Name: 5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-
• CAS No.: 86260-83-5
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.115
• DSSTox Substance ID: DTXSID00465670
• Nikkaji Number: J1.560.127B

Synonyms:86260-83-5;3-methyl-4,5-dihydroisoxazole-5-carbonitrile;5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-;SCHEMBL18088501;DTXSID00465670

Chemical Property of 5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 110.048012819
• Heavy Atom Count: 8
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NOC(C1)C#N

Technology Process of 5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-

There total 5 articles about 5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl- 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: 57.0%

3-methyl-2-(1-naphthyl)-2H-azirine (88235-59-0) + acrylonitrile (107-13-1,25014-41-9) → 1-naphthaldehyde (66-77-3) + 5-cyano-3-methylisoxazoline (86260-83-5)

Guidance literature:

With oxygen; In acetonitrile; at 20 ℃; Irradiation; long-wavelenght light (366 nm);

DOI:10.1246/cl.2001.832

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 3-methyl-2-(bromo-1-naphthyl)-2H-azirine (832716-12-8) → 4-bromo-1-naphthaldehyde (50672-84-9) + 5-cyano-3-methylisoxazoline (86260-83-5) + (2R,3R)-2-(4-Bromo-naphthalen-1-yl)-5-methyl-3,4-dihydro-2H-pyrrole-3-carbonitrile + (2R,3S)-2-(4-Bromo-naphthalen-1-yl)-5-methyl-3,4-dihydro-2H-pyrrole-3-carbonitrile

Guidance literature:

With oxygen; for 0.166667h; Further Variations:; wavelength dependence; Product distribution; Quantum yield; UV-irradiation;

DOI:10.1021/ja040109x

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 3-Methyl-2-(4-nitrophenyl)-2H-azirine → 4-nitrobenzaldehdye (555-16-8) + 5-cyano-3-methylisoxazoline (86260-83-5) + 4-nitro-benzoic acid (62-23-7)

Guidance literature:

With oxygen; In acetonitrile; Irradiation;

DOI:10.1039/b102384p

upstream raw materials:

acrylonitrile

3-methyl-2-(1-naphthyl)-2H-azirine

3-methyl-2-(bromo-1-naphthyl)-2H-azirine

3-methyl-2-(4-nitro-1-naphthyl)-2H-azirine

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