1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-

Base Information

• Chemical Name: 1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-
• CAS No.: 68327-78-6
• Molecular Formula: C16H15NO2
• Molecular Weight: 253.301
• DSSTox Substance ID: DTXSID80389163
• Nikkaji Number: J2.369.164G
• Mol file: 68327-78-6.mol

Synonyms:1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-;68327-78-6;2-[4-(1-hydroxyethyl)phenyl]-3H-isoindol-1-one;Oprea1_149554;Oprea1_485342;SCHEMBL11665957;DTXSID80389163;2-[4-(1-Hydroxyethyl)phenyl]isoindoline-1-one;SR-01000360903;SR-01000360903-1

Chemical Property of 1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 253.110278721
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)O

Technology Process of 1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-

There total 6 articles about 1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]- 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: 88.0%

2-(4-acetylphenyl)-2,3-dihydro-1H-isoindole-1-one (60025-40-3) → 2-(4-[1-hydroxy]ethylphenyl)isoindolin-1-one (68327-78-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 1h;

DOI:10.1515/HC.2002.8.3.281

Reference yield: 40.0%

indoprofen (31842-01-0,53022-60-9) → 2-(4-[1-hydroxy]ethylphenyl)isoindolin-1-one (68327-78-6)

Guidance literature:

With 2,4,6-trimethyl-pyridine; water; tert-butylammonium hexafluorophosphate(V); In acetone; at 20 ℃; for 3h; Electrolysis;

DOI:10.1038/s41586-019-1539-y

Reference yield:

indoprofen (31842-01-0,53022-60-9) → 2-(4-acetylphenyl)-2,3-dihydro-1H-isoindole-1-one (60025-40-3) + 2-(4-[1-hydroxy]ethylphenyl)isoindolin-1-one (68327-78-6) + 2-(4-ethylphenyl)isoindolin-1-one + 2-(4-[1-hydroperoxy]ethylphenyl)isoindolin-1-one

Guidance literature:

With phosphate buffer; oxygen; In water; at 25 ℃; for 2h; Irradiation;

DOI:10.1562/0031-8655(2003)077<0487:PAPPOI>2.0.CO;2

upstream raw materials:

2-(4-acetylphenyl)-2,3-dihydro-1H-isoindole-1-one

indoprofen

ortho-methylbenzoic acid

ethyl 2-methylbenzoate

Downstream raw materials:

1-chloro [4-(1-oxo-2-isoindolinyl)phenyl]ethane

2-(4-(1-oxoisoindolin-2-yl)phenyl)propanenitrile

indoprofen tert-butyl ester

indoprofen