4-Phenyl-3,4-dihydroisoquinolin-1(2H)-one

Base Information

• Chemical Name: 4-Phenyl-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 40691-63-2
• Molecular Formula: C15H13NO
• Molecular Weight: 223.274
• Hs Code.: 2933790090
• European Community (EC) Number: 882-491-9
• Mol file: 40691-63-2.mol

Synonyms:4-Phenyl-3,4-dihydroisoquinolin-1(2H)-one;40691-63-2;4-PHENYL-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE;4-phenyl-1,2,3,4-tetrahydroisoquinolin-1-one;SCHEMBL1315337;NGJFKRNZIPGFKZ-UHFFFAOYSA-N;EN300-19324246

Chemical Property of 4-Phenyl-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

• PSA: 32.59000
• LogP: 2.57230
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

98% ^*data from raw suppliers

4-Phenyl-3,4-dihydroisoquinolin-1(2H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2C(=O)N1)C3=CC=CC=C3

Technology Process of 4-Phenyl-3,4-dihydroisoquinolin-1(2H)-one

There total 9 articles about 4-Phenyl-3,4-dihydroisoquinolin-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: 90.0%

C19H20N2O3 → 4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (40691-63-2)

Guidance literature:

With iron; acetic acid; In ethyl acetate; at 80 ℃;

DOI:10.1021/acscatal.6b03217

Reference yield: 73.0%

carbon monoxide (201230-82-2) + 2,2-Diphenylethylamine (3963-62-0) → 4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (40691-63-2)

Guidance literature:

With copper (II) trifluoroacetate hydrate; 3-(trifluoromethyl)benzoic acid; palladium diacetate; In 1,2-dichloro-ethane; at 100 ℃; for 12h; under 760.051 Torr; Schlenk technique; Sealed tube;

DOI:10.1021/acs.orglett.8b00786

Reference yield: 72.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + N-((tert-butoxycarbonyl)oxy)benzamide (1293990-69-8) → 4-phenyl-3,4-dihydroisoquinolin-1(2H)-one (40691-63-2) + 3,4-dihydro-3-phenyl-1(2H)-isoquinolinone (26278-74-0)

Guidance literature:

N-((tert-butoxycarbonyl)oxy)benzamide; With C₁₃H₂₀Rh; dibenzoyl peroxide; In dichloromethane; at 23 ℃; for 0.0833333h; Inert atmosphere;

styrene; In dichloromethane; at 23 ℃; for 14h; Solvent; regioselective reaction; Catalytic behavior; Inert atmosphere;

DOI:10.1002/chem.201404515

upstream raw materials:

(2,2-diphenyl-ethyl)-carbamic acid ethyl ester

styrene

N-((tert-butoxycarbonyl)oxy)benzamide

carbon monoxide