5-[(3-nitrophenyl)carbonyl]-2-(pyridin-2-yl)-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 5-[(3-nitrophenyl)carbonyl]-2-(pyridin-2-yl)-1H-isoindole-1,3(2H)-dione
• CAS No.: 5186-54-9
• Molecular Formula: C20H11N3O5
• Molecular Weight: 373.3184
• DSSTox Substance ID: DTXSID60359884
• Wikidata: Q82141300

Synonyms:5186-54-9;ST50995884;CBMicro_013267;Oprea1_631392;DTXSID60359884;SMSF0004273;STK156022;AKOS001597180;CB03925;BIM-0013316.P001;EU-0002803;SR-01000412008;SR-01000412008-1;5-[(3-nitrophenyl)carbonyl]-2-(pyridin-2-yl)-1H-isoindole-1,3(2H)-dione;5-(3-NITROBENZOYL)-2-(PYRIDIN-2-YL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

Chemical Property of 5-[(3-nitrophenyl)carbonyl]-2-(pyridin-2-yl)-1H-isoindole-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 3.1E-16mmHg at 25°C
• Boiling Point: 639.2°Cat760mmHg
• Flash Point: 340.4°C
• Density: 1.493g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 373.06987046
• Heavy Atom Count: 28
• Complexity: 675

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Technology Process of 5-[(3-nitrophenyl)carbonyl]-2-(pyridin-2-yl)-1H-isoindole-1,3(2H)-dione

There total 8 articles about 5-[(3-nitrophenyl)carbonyl]-2-(pyridin-2-yl)-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: 90.0%

3H-chromene-2,4-dione (4438-85-1) → 3-diazobenzopyran-2,4(3H)-dione (5186-54-9)

Guidance literature:

With [bmim]Br; Methanesulfonyl azide; at 25 ℃;

DOI:10.1016/j.tetlet.2008.02.159

Reference yield: 74.0%

3-Diazo-2-nitrimino-2H-<1>benzopyran-4-yl oxide → 3-diazobenzopyran-2,4(3H)-dione (5186-54-9)

Guidance literature:

In dimethyl sulfoxide; at 35 - 40 ℃; for 2.5h;

DOI:10.1002/jhet.5570190124

Reference yield: 70.6%

4-toluenesulfonyl azide (941-55-9) + 4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) → 3-diazobenzopyran-2,4(3H)-dione (5186-54-9)

Guidance literature:

With methylamine; In tetrahydrofuran; carbon dioxide;

upstream raw materials:

3-amino-4-hydroxy-2H-chromen-2-one

4-hydroxy[1]benzopyran-2-one

cis-nitrous acid

9-Oxo-1H,9H-benzopyrano<2,3-d>-v-triazole

Downstream raw materials:

3-[2'-cyclohexenyl]-4-hydroxy-1-benzopyran-2(H)-one

4-(4-methoxyphenyl)-4-hydroxycoumarin

4-hydroxy-3-<(4-methylphenyl)methyl>-2H-1-benzopyran-2-one

3-<2,5-Dimethyl-phenyl>-4-hydroxy-cumarin

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