2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione

Base Information

Chemical Name:2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
CAS No.:53555-03-6
Molecular Formula:C₁₄H₇ClN₂O₄
Molecular Weight:302.674
Hs Code.:
DSSTox Substance ID:DTXSID00354075
Wikidata:Q82132018
Mol file:53555-03-6.mol

Synonyms:53555-03-6;2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione;2-(4-chlorophenyl)-4-nitroisoindole-1,3-dione;2-(4-Chlorophenyl)-4-nitroisoindoline-1,3-dione;AI-204/31726045;2-(4-chlorophenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione;Oprea1_457718;Oprea1_488478;DTXSID00354075;STK289899;AKOS001591744;SR-01000391574;SR-01000391574-1

Suppliers and Price of 2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-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 3 raw suppliers

Chemical Property of 2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione

Chemical Property:

PSA：83.20000
LogP:3.63700
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:302.0094344
Heavy Atom Count:21
Complexity:470

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)Cl

Technology Process of 2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione

There total 2 articles about 2-(4-chlorophenyl)-4-nitro-1H-isoindole-1,3(2H)-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:

: 641-70-3
3-nitrophthalic acid anhydride

: 106-47-8
4-chloro-aniline

: 53555-03-6
2-(4-chloro-phenyl)-4-nitro-isoindole-1,3-dione

Guidance literature:: at 170 ℃;
DOI:10.1021/ja01277a002

Reference yield:

: 603-11-2
3-nitrophthalic acid

: 53555-03-6
2-(4-chloro-phenyl)-4-nitro-isoindole-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride / Reflux; Inert atmosphere

2: triethylamine / acetonitrile / 50 °C / Inert atmosphere

With acetic anhydride; triethylamine; In acetonitrile;
DOI:10.5012/bkcs.2014.35.5.1337

Reference yield:

: 53555-03-6
2-(4-chloro-phenyl)-4-nitro-isoindole-1,3-dione

: 1630974-82-1
acetic acid 2-(4-chlorophenyl)-7-nitro-3-oxo-2,3-dihydro-1H-isoindol-1-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: sodium tetrahydroborate / Inert atmosphere

2: triethylamine / acetonitrile / 3 h / 20 °C / Inert atmosphere

With sodium tetrahydroborate; triethylamine; In acetonitrile;
DOI:10.5012/bkcs.2014.35.5.1337