2-[2,6-Di(propan-2-yl)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-[2,6-Di(propan-2-yl)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
• CAS No.: 114215-37-1
• Molecular Formula: C20H20N2O4
• Molecular Weight: 352.39
• ChEMBL ID: CHEMBL90616
• DSSTox Substance ID: DTXSID30601887
• Nikkaji Number: J705.974D
• Wikidata: Q82498748
• Mol file: 114215-37-1.mol

Synonyms:CHEMBL90616;114215-37-1;SCHEMBL9812676;DTXSID30601887;HTKHAKKSAQLKRJ-UHFFFAOYSA-N;2-[2,6-Di(propan-2-yl)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione;BDBM50075331;N-(2',6'-diisopropylphenyl)-3-nitrophthalimide;2-(2,6-diisopropylphenyl)-4-nitroisoindoline-1,3-dione;2-(2,6-Diisopropyl-phenyl)-4-nitro-isoindole-1,3-dione

Chemical Property of 2-[2,6-Di(propan-2-yl)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 352.14230712
• Heavy Atom Count: 26
• Complexity: 567

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Technology Process of 2-[2,6-Di(propan-2-yl)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione

There total 1 articles about 2-[2,6-Di(propan-2-yl)phenyl]-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:

3-nitrophthalic acid anhydride (641-70-3) + 2,6-diisopropylbenzenamine (24544-04-5) → 4NPP-33 (114215-37-1)

Guidance literature:

With acetic acid; Heating;

DOI:10.1016/j.bmcl.2007.01.088

Reference yield:

4NPP-33 (114215-37-1) → N-(2',6'-diisopropylphenyl)-3-fluorophthalimide

Guidance literature:

With potassium fluoride; In methanol; dimethyl sulfoxide; ethyl acetate;

Reference yield:

4NPP-33 (114215-37-1) → 4APP-33

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetone; for 2h; Heating;

DOI:10.1016/j.bmcl.2007.01.088

upstream raw materials:

3-nitrophthalic acid anhydride

2,6-diisopropylbenzenamine