Nitrobenzooxipenone

Base Information

Chemical Name:Nitrobenzooxipenone
CAS No.:127283-63-0
Molecular Formula:C₁₀H₉NO₄
Molecular Weight:207.186
Hs Code.:
DSSTox Substance ID:DTXSID70925832
NSC Number:734466
Wikidata:Q82900264
Mol file:127283-63-0.mol

Synonyms:nitrobenzooxipenone;127283-63-0;7-NITRO-3,4-DIHYDRO-2H-1-BENZOXEPIN-5-ONE;2,3-Dihydro-7-nitro-1-benzoxepin-5(4H)-one;SCHEMBL2488458;DTXSID70925832;HCJDDRWAVYLBCZ-UHFFFAOYSA-N;NSC734466;NSC-734466;3,4-dihydro-7-nitro-1-benzoxepin-5(2H)-one;7-Nitro-3,4-dihydro-1-benzoxepin-5(2H)-one

Suppliers and Price of Nitrobenzooxipenone

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 4 raw suppliers

Chemical Property of Nitrobenzooxipenone

Chemical Property:

PSA：72.12000
LogP:2.47330
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:207.05315777
Heavy Atom Count:15
Complexity:273

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC1

Technology Process of Nitrobenzooxipenone

There total 7 articles about Nitrobenzooxipenone 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: 65.0%

: 6786-30-7
3,4-dihydro-1-benzoxepin-5(2H)-one

: 127283-63-0
3,4-dihydro-7-nitro-1-benzoxepine-5(2H)-one

Guidance literature:: With nitric acid; at -20 - -5 ℃; for 0.5h;
DOI:10.1002/anie.201912489

Reference yield: 9.0%

: 6786-30-7
3,4-dihydro-1-benzoxepin-5(2H)-one

: 127283-63-0
3,4-dihydro-7-nitro-1-benzoxepine-5(2H)-one

: 138802-05-8
3,4-dihydro-9-nitro-1-benzoxepine-5(2H)-one

Guidance literature:: With nitric acid; at -10 ℃; for 0.5h;

Reference yield:

: 108-95-2,27073-41-2
phenol

: 127283-63-0
3,4-dihydro-7-nitro-1-benzoxepine-5(2H)-one

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate; sodium iodide / acetone / 3 h / Reflux

2: sodium hydroxide / 1 h / Reflux

3: polyphosphoric acid / 0.5 h / 110 °C

4: nitric acid / 0.5 h / -20 - -5 °C

With nitric acid; potassium carbonate; sodium iodide; sodium hydroxide; In acetone;
DOI:10.1002/anie.201912489