3-Hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one

Base Information

• Chemical Name: 3-Hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one
• CAS No.: 3532-43-2
• Molecular Formula: C₁₉H₁₄N₂O₂
• Molecular Weight: 302.332
• NSC Number: 69359
• DSSTox Substance ID: DTXSID60290546
• ChEMBL ID: CHEMBL1488698
• Mol file: 3532-43-2.mol

Synonyms:3532-43-2;MLS000736762;3-hydroxy-3-phenyl-2-(pyridin-4-yl)isoindolin-1-one;NSC69359;3-hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one;NCIOpen2_009962;CHEMBL1488698;DTXSID60290546;HMS2886N20;NSC-69359;AKOS024350482;SMR000528315;3-Hydroxy-3-phenyl-2-(4-pyridinyl)-1-isoindolinone

Chemical Property of 3-Hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• Boiling Point: 538.7°Cat760mmHg
• Flash Point: 279.6°C
• Density: 1.355g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 302.105527694
• Heavy Atom Count: 23
• Complexity: 443

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2C4=CC=NC=C4)O

Technology Process of 3-Hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one

There total 2 articles about 3-Hydroxy-3-phenyl-2-(pyridin-4-yl)-2,3-dihydro-1h-isoindol-1-one 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:

N-(4-pyridyl)phthalimide (69076-65-9) + phenylmagnesium bromide (100-58-3) → 3-hydroxy-3-phenyl-2-pyridin-4-yl-2,3-dihydro-isoindol-1-one (3532-43-2)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 1h; Ambient temperature;

DOI:10.1002/jhet.5570340440

Reference yield:

→ 3-hydroxy-3-phenyl-2-pyridin-4-yl-2,3-dihydro-isoindol-1-one (3532-43-2)

Guidance literature:

DOI:10.1021/jm00329a052

Reference yield: 57.0%

3-hydroxy-3-phenyl-2-pyridin-4-yl-2,3-dihydro-isoindol-1-one (3532-43-2) → 2,3-dihydro-1-hydroxy-1-phenyl-2-(pyridin-4-yl)-1H-isoindole (176695-08-2)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; for 0.5h;

DOI:10.1002/jhet.5570340440

upstream raw materials:

N-(4-pyridyl)phthalimide

phenylmagnesium bromide

Downstream raw materials:

2,3-dihydro-1-hydroxy-1-phenyl-2-(pyridin-4-yl)-1H-isoindole