Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide

Base Information

• Chemical Name: Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide
• CAS No.: 193344-24-0
• Molecular Formula: C19H29NO
• Molecular Weight: 287.445
• DSSTox Substance ID: DTXSID90454417
• Nikkaji Number: J1.036.944D
• Wikidata: Q82275934
• Mol file: 193344-24-0.mol

Synonyms:Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide;193344-24-0;DTXSID90454417

Chemical Property of Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 287.224914549
• Heavy Atom Count: 21
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)C#[N+][O-])C(C)(C)C

Technology Process of Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide

There total 2 articles about Benzonitrile, 2,4,6-tris(1,1-dimethylethyl)-, N-oxide 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: 88.0%

2,4,6-tri-t-butylbenzaldehyde oxime → 2,4,6-tri-tert-butylbenzonitrile oxide (193344-24-0)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(01)01443-5

Reference yield:

2,4,6-tri-(tert-butyl)thiobenzaldehyde (84543-57-7) → 2,4,6-tri-tert-butylbenzonitrile oxide (193344-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / NH₂OH*HCl; Et₃N / ethanol / 0.17 h / Heating

2: 88 percent / N-bromosuccinimide / dimethylformamide / 0.17 h / 20 °C

With N-Bromosuccinimide; hydroxylamine hydrochloride; triethylamine; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(01)01443-5

Reference yield: 96.0%

4-(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)-2,2-diphenyl-1,3,2,4-dithiastannaboretane (180971-15-7) + 2,4,6-tri-tert-butylbenzonitrile oxide (193344-24-0) → 4-(2,4,6-tri-tert-butyl-phenyl)-2-[2,4,6-tris-(bis-trimethylsilanyl-methyl)-phenyl]-[1,3,5,2]oxathiazaborole

Guidance literature:

4-(2,4,6-tris[bis(trimethylsilyl)methyl]phenyl)-2,2-diphenyl-1,3,2,4-dithiastannaboretane; Heating;

2,4,6-tri-tert-butylbenzonitrile oxide;

DOI:10.1080/10426500108546529

upstream raw materials:

2,4,6-tri-(tert-butyl)thiobenzaldehyde

Downstream raw materials:

((C₆H₅)2SnSe)3