3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-one

Base Information

Chemical Name:3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-one
CAS No.:18237-57-5
Molecular Formula:C15H13NO2
Molecular Weight:0
Hs Code.:2934999090
DSSTox Substance ID:DTXSID30702000
Mol file:18237-57-5.mol

Synonyms:DTXSID30702000;3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-one

Suppliers and Price of 3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-one

Chemical Property:

PSA：38.66000
LogP:2.37220
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:239.094628657
Heavy Atom Count:18
Complexity:434

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3OC2

Technology Process of 3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-one

There total 6 articles about 3-(Cyclohexa-1,5-dien-1-yl)-1,4-benzoxazepin-5(2H)-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: 75.0%

: 18237-55-3
2-(2-oxo-2-phenylethoxy)benzamide

: 18237-57-5
3-phenyl-3,4-dihydrobenzo[f ][1,4]oxazepin-5(2H)-one

Guidance literature:: With triethylsilane; aluminium(III) triflate; In acetonitrile; at 80 ℃; for 8h;
DOI:10.1021/jo501824z

Reference yield:

: 18237-56-4
3-phenyl-1,4-benzoxazepinone

: 18237-57-5
3-phenyl-3,4-dihydrobenzo[f ][1,4]oxazepin-5(2H)-one

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate;
DOI:10.1002/hlca.19680510303

Reference yield:

: 532-27-4,108321-66-0,164322-25-2
1-chloroacetophenone

: 18237-57-5
3-phenyl-3,4-dihydrobenzo[f ][1,4]oxazepin-5(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: KI, K₂CO₃

2: TsOH / toluene / Heating

3: H₂ / Pd-C / ethyl acetate

With hydrogen; potassium carbonate; toluene-4-sulfonic acid; potassium iodide; palladium on activated charcoal; In ethyl acetate; toluene;
DOI:10.1002/hlca.19680510303