7-Nitroisochroman-1,3-dione

Base Information

Chemical Name:7-Nitroisochroman-1,3-dione
CAS No.:36795-25-2
Molecular Formula:C9H5NO5
Molecular Weight:207.142
Hs Code.:
DSSTox Substance ID:DTXSID90474094
Nikkaji Number:J1.206.891C
Wikidata:Q82303879
Mol file:36795-25-2.mol

Synonyms:36795-25-2;7-nitroisochroman-1,3-dione;1H-2-Benzopyran-1,3(4H)-dione, 7-nitro-;7-nitro-4H-isochromene-1,3-dione;7-Nitroisochromane-1,3-dione;7-nitro-3,4-dihydro-1H-2-benzopyran-1,3-dione;7-nitro-1H-2-benzopyran-1,3(4H)-dione;starbld0003590;4-nitrohomophthalic anhydride;SCHEMBL1308432;DTXSID90474094;BGASVHXIJWUJNM-UHFFFAOYSA-N;CS-0140398;FT-0765847;EN300-9440707

Suppliers and Price of 7-Nitroisochroman-1,3-dione

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 2 raw suppliers

Chemical Property of 7-Nitroisochroman-1,3-dione

Chemical Property:

PSA：89.19000
LogP:1.35750
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:207.01677226
Heavy Atom Count:15
Complexity:321

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC1=O

Technology Process of 7-Nitroisochroman-1,3-dione

There total 7 articles about 7-Nitroisochroman-1,3-dione 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: 97.8%

: 3898-66-6
2-(carboxymethyl)-5-nitrobenzoic acid

: 36795-25-2
7-nitro-1H-2-benzopyran-1,3(4H)-dione

Guidance literature:: In toluene; for 5h; Reflux;
DOI:10.1016/j.bmcl.2015.12.014

Reference yield:

: 3898-66-6
2-(carboxymethyl)-5-nitrobenzoic acid

: 75-36-5
acetyl chloride

: 36795-25-2
7-nitro-1H-2-benzopyran-1,3(4H)-dione

Guidance literature:

Reference yield:

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 36795-25-2
7-nitro-1H-2-benzopyran-1,3(4H)-dione

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydride; copper(I) bromide / 3 h / 80 °C / Inert atmosphere

2: sodium hydroxide; water / methanol / 5 h / 25 °C

3: toluene / 5 h / Reflux

With water; sodium hydride; copper(I) bromide; sodium hydroxide; In methanol; toluene;
DOI:10.1016/j.bmcl.2015.12.014