8-Methyl-3,4-dihydroisoquinolin-1(2H)-one

Base Information

• Chemical Name: 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 1082041-79-9
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID10694611
• Wikidata: Q82623767
• Mol file: 1082041-79-9.mol

Synonyms:8-Methyl-3,4-dihydroisoquinolin-1(2H)-one;1082041-79-9;8-Methyl-3,4-dihydro-2H-isoquinolin-1-one;SCHEMBL12714991;DTXSID10694611;YTAVXUVDTBJJMT-UHFFFAOYSA-N;AMY31699;MFCD11007915;AKOS006303696;DS-5951;CS-0153394;FT-0728435;8-methyl-1,2,3,4-tetrahydroisoquinolin-1-one;W15862;A895325

Chemical Property of 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

• PSA: 32.59000
• LogP: 1.29130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

8-Methyl-3,4-dihydroisoquinolin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)CCNC2=O

Technology Process of 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one

There total 6 articles about 8-Methyl-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: 100.0%

8-Methylisoquinolin-1(2H)-one (116409-35-9) → 8-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-79-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 80 ℃; for 48h; under 3102.97 Torr;

Reference yield: 85.0%

2-(2-(1,3-dioxoisoindolin-2-yl)ethyl)-6-methyl-N-(quinolin-8-yl)benzamide → 8-amino quinoline (578-66-5) + 8-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-79-9)

Guidance literature:

With hydrazine; at 120 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.joc.8b02249

Reference yield: 74.0%

Trimethylboroxine (823-96-1) + 3,4-dihydroisoquinolin-1(2H)-one (1196-38-9) → 8-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-79-9)

Guidance literature:

With pentamethylcyclopentadienyl(benzene)cobalt(III) hexafluorophosphate; potassium carbonate; silver carbonate; In 2-methyltetrahydrofuran; at 60 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1038/s41557-020-0475-7

upstream raw materials:

2-3-tolylethylcarbamic acid methyl ester

2-(3-methylphenyl)ethylamine

8-methylisoquinoline N-oxide

8-Methylisoquinolin-1(2H)-one

Downstream raw materials:

2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-8-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-N,N,8-trimethyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-carboxamide