1(2H)-Isoquinolinone, 3-phenyl-

Base Information

• Chemical Name: 1(2H)-Isoquinolinone, 3-phenyl-
• CAS No.: 7115-13-1
• Molecular Formula: C₁₅H₁₁NO
• Molecular Weight: 221.258
• DSSTox Substance ID: DTXSID70221341
• Nikkaji Number: J1.567.306K
• Wikidata: Q83099075
• ChEMBL ID: CHEMBL141081
• Mol file: 7115-13-1.mol

Synonyms:1(2H)-Isoquinolinone, 3-phenyl-;3-Phenylisocarbostyril;7115-13-1;CHEMBL141081;3-phenylisoquinolin-1(2h)-one;3-phenyl-1(2H)-isoquinolinone;3-Phenyl-2H-isoquinolin-1-one;3-phenyl-1-isoquinolinol;3-phenyl isoquinoline-1-ol;Oprea1_107425;SCHEMBL828493;DTXSID70221341;VZYRBVZOGGKAKY-UHFFFAOYSA-N;BDBM50544049;AKOS004901922

Chemical Property of 1(2H)-Isoquinolinone, 3-phenyl-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.084063974
• Heavy Atom Count: 17
• Complexity: 328

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=CC3=CC=CC=C3C(=O)N2

Technology Process of 1(2H)-Isoquinolinone, 3-phenyl-

There total 95 articles about 1(2H)-Isoquinolinone, 3-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: 97.0%

1-methyoxy-3-phenylisoquinoline → 3-phenyl-2H-isoquinolin-1-one (7115-13-1)

Guidance literature:

With hydrogen bromide; In acetic acid; at 50 ℃; for 2h;

DOI:10.1016/j.tetlet.2010.09.136

Reference yield: 95.0%

3-phenyl-isocoumarin (4809-08-9) → 3-phenyl-2H-isoquinolin-1-one (7115-13-1)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; Reflux;

DOI:10.1002/adsc.201900764

Reference yield: 95.0%

o-iodobenzamide (3930-83-4) + acetophenone (98-86-2) → 3-phenyl-2H-isoquinolin-1-one (7115-13-1)

Guidance literature:

With caesium carbonate; copper(I) bromide; In dimethyl sulfoxide; at 80 ℃; for 24h; Inert atmosphere; Sealed tube; Schlenk technique;

DOI:10.1002/chem.201301621

upstream raw materials:

3-phenyl-isoquinoline-1,4-dione

3-phenyl-isocoumarin

4-hydroxy-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one

1,2-dihydro-4-phenyl-5H-benzo2,3-diazepin-1-one

Downstream raw materials:

1-chloro-3-phenylisoquinoline

1,4-dichloro-3-phenyl-isoquinoline

3-phenylisoquinoline

2-methyl-3-phenylisoquinolin-1(2H)-one