2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one

Base Information

Chemical Name:2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one
CAS No.:91813-56-8
Molecular Formula:C₁₀H₅Cl₂NO₂
Molecular Weight:242.061
Hs Code.:
DSSTox Substance ID:DTXSID40523480
Wikidata:Q82389589

Synonyms:91813-56-8;2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one;DTXSID40523480

Suppliers and Price of 2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:240.9697338
Heavy Atom Count:15
Complexity:327

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C2=NC=CC(=O)O2)Cl)Cl

Technology Process of 2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one

There total 5 articles about 2-(3,4-Dichlorophenyl)-6H-1,3-oxazin-6-one 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: 62.0%

: (1R,2S,7R,8S)-4-(3,4-Dichloro-phenyl)-5-oxa-3-aza-tricyclo[6.2.1.0^2,7]undeca-3,9-dien-6-one

: 91813-56-8
2-(3',4'-dichlorophenyl)-6H-1,3-oxazin-6-one

Guidance literature:: at 150 ℃; for 0.166667h;
DOI:10.1055/s-1984-30839

Reference yield:

: 91813-49-9,92511-31-4
(1S,2S,3R,4R)-3-(3,4-Dichloro-benzoylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

: 91813-56-8
2-(3',4'-dichlorophenyl)-6H-1,3-oxazin-6-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) thionyl chloride, 2.) triethylamine / 1.) 30 min, rt.; 2.) benzene, rt, 20 h

2: 110 - 140 °C / ΔE excit and ΔS excit were calculated at different temperatures.

With thionyl chloride; triethylamine;
DOI:10.1016/0040-4020(84)80022-8

Reference yield:

: 91813-49-9,92511-31-4
(1R,2S,3R,4S)-3-(3,4-Dichloro-benzoylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

: 91813-56-8
2-(3',4'-dichlorophenyl)-6H-1,3-oxazin-6-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) SOCl₂, 2.) (C₂H₅)3N / 1.) room temp., 30 min, 2.) benzene, ambient temp., 20 h

2: 62 percent / 0.17 h / 150 °C

With thionyl chloride; triethylamine;
DOI:10.1055/s-1984-30839