2H-1,2,4-Benzoxadiazine, 3-(4-methylphenyl)-

Base Information

• Chemical Name: 2H-1,2,4-Benzoxadiazine, 3-(4-methylphenyl)-
• CAS No.: 54367-79-2
• Molecular Formula: C₁₄H₁₂N₂O
• Molecular Weight: 224.262
• DSSTox Substance ID: DTXSID80482466
• Wikidata: Q82318816

Synonyms:54367-79-2;2h-1,2,4-benzoxadiazine,3-(4-methylphenyl)-;2H-1,2,4-Benzoxadiazine, 3-(4-methylphenyl)-;DTXSID80482466

Chemical Property of 2H-1,2,4-Benzoxadiazine, 3-(4-methylphenyl)-

Chemical Property:

• PSA: 33.62000
• LogP: 2.73470
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.094963011
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3ON2

Technology Process of 2H-1,2,4-Benzoxadiazine, 3-(4-methylphenyl)-

There total 3 articles about 2H-1,2,4-Benzoxadiazine, 3-(4-methylphenyl)- 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: 12.0%

Nitrosobenzene (586-96-9) + 4-methylbenzonitrile oxide (13820-14-9) → 3-(4-methylphenyl)-4H-1,2,4-benzoxadiazine (54367-79-2)

Guidance literature:

In diethyl ether; 1.) -20 deg C, 19 h, 2.) r.t., 2 h;

Reference yield:

→ 3-(4-methylphenyl)-4H-1,2,4-benzoxadiazine (54367-79-2)

Guidance literature:

Ph-N=SMe2,p-CH3-C6H4-C-=N->O;

DOI:10.1039/P19760002161

Reference yield:

→ 3-p-tolyl-2(4)H-benzo[1,2,4]oxadiazine (54367-79-2)

Guidance literature:

/BRN= 970437/(1a), /BRN= 606670/;

DOI:10.1039/C39740000486

upstream raw materials:

Nitrosobenzene

4-methylbenzonitrile oxide

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