4-Phenylisoquinolin-1(2h)-one

Base Information

• Chemical Name: 4-Phenylisoquinolin-1(2h)-one
• CAS No.: 36828-24-7
• Molecular Formula: C15H11NO
• Molecular Weight: 221.258
• ChEMBL ID: CHEMBL1173657
• DSSTox Substance ID: DTXSID80496846
• Nikkaji Number: J2.777.023A
• Pharos Ligand ID: G59FUGWXPL8F
• Wikidata: Q82345982
• Mol file: 36828-24-7.mol

Synonyms:4-phenylisoquinolin-1(2h)-one;36828-24-7;CHEMBL1173657;4-phenylisoquinolinone;4-phenyl-1(2H)-isoquinolone;SCHEMBL4208272;DTXSID80496846;NDQPDHVEGVZCSY-UHFFFAOYSA-N;BDBM50322363

Chemical Property of 4-Phenylisoquinolin-1(2h)-one

Chemical Property:

• PSA: 33.12000
• LogP: 3.60740
• XLogP3: 2.5
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CNC(=O)C3=CC=CC=C32

Technology Process of 4-Phenylisoquinolin-1(2h)-one

There total 14 articles about 4-Phenylisoquinolin-1(2h)-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: 57.0%

2-Hydroxy-4-phenylisocarbostyril (77077-79-3) → 4-phenylisoquinolin-1(2H)-one (36828-24-7)

Guidance literature:

In acetic acid; for 14h; Heating;

Reference yield: 54.0%

N-benzamido-2,4,6-triphenylpyridine tetrafluoroborate + phenylacetylene (536-74-3) → 4-phenylisoquinolin-1(2H)-one (36828-24-7)

Guidance literature:

With sodium tetrafluoroborate; Eosin Y; In dimethyl sulfoxide; for 12h; Inert atmosphere; Sealed tube; Irradiation;

Reference yield:

→ 4-phenyl-isoquinolin-1-ol (36828-24-7)

Guidance literature:

With palladium; at 255 - 265 ℃;

upstream raw materials:

2-(2-chloro-1-phenyl-vinyl)-benzoic acid methylamide

2-(2-chloro-1-phenyl-vinyl)-benzoic acid anilide

2-(2-chloro-1-phenyl-vinyl)-benzoic acid amide

3-methyl-3-phenylphthalide

Downstream raw materials:

2-(3-diethylamino-2-hydroxypropyl)-4-phenyl-1(2H)-isoquinolone

2-(2,3-epoxypropyl)-4-phenyl-1(2H)-isoquinolone

2-(2-hydroxypropyl)-4-phenyl-1(2H)-isoquinolone

2-(3-hydroxypropyl)-4-phenyl-1(2H)-isoquinolone