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

Base Information

• Chemical Name: 6-Methyl-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 1082041-78-8
• Molecular Formula: C10H11NO
• Molecular Weight: 161.20044
• Hs Code.: 2933790090
• Mol file: 1082041-78-8.mol

Synonyms:1(2H)-Isoquinolinone, 3,4-dihydro-6-methyl-;6-METHYL-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE(WXC07059)

Chemical Property of 6-Methyl-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

• Boiling Point: 406.8±45.0 °C(Predicted)
• PKA: 14.96±0.20(Predicted)
• PSA: 32.59000
• Density: 1.111±0.06 g/cm3(Predicted)
• LogP: 1.29130
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

NLT 98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Methyl-3,4-dihydroisoquinolin-1(2H)-one

There total 2 articles about 6-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: 58.0%

2-3-tolylethylcarbamic acid methyl ester (1216826-48-0) → 6-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-78-8) + 8-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-79-9)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 70 ℃; for 9h; Kinetics;

DOI:10.1021/jo3020566

Reference yield:

2-(3-methylphenyl)ethylamine (55755-17-4) → 6-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-78-8) + 8-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-79-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / N,N-dimethyl-formamide / 1 h / 0 - 25 °C

2: trifluorormethanesulfonic acid / 9 h / 0 - 70 °C

With trifluorormethanesulfonic acid; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1021/jo3020566

Reference yield: 74.0%

6-methyl-3,4-dihydro-2H-isoquinolin-1-one (1082041-78-8) → 6-methyl-1,2,3,4-tetrahydroisoquinoline (42923-76-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h; Reflux;

DOI:10.1016/j.bmc.2015.12.047

upstream raw materials:

2-3-tolylethylcarbamic acid methyl ester

2-(3-methylphenyl)ethylamine

Downstream raw materials:

6-methyl-1,2,3,4-tetrahydroisoquinoline

Refernces