2-Methyl-1(2H)-isoquinolone

Base Information

• Chemical Name: 2-Methyl-1(2H)-isoquinolone
• CAS No.: 4594-71-2
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• Hs Code.: 2933790090
• Mol file: 4594-71-2.mol

Synonyms:Isocarbostyril,2-methyl- (6CI,7CI,8CI);2-Methyl-1(2H)-isoquinolinone;2-Methyl-1(2H)-isoquinolone;2-Methyl-1-isoquinolinone;2-Methyl-1-isoquinolone;N-Methylisocarbostyril;

Chemical Property of 2-Methyl-1(2H)-isoquinolone

Chemical Property:

• Vapor Pressure: 0.000719mmHg at 25°C
• Melting Point: 105-106 °C
• Refractive Index: 1.592
• Boiling Point: 307.6 °C at 760 mmHg
• PKA: -2.17±0.70(Predicted)
• Flash Point: 145.2 °C
• PSA: 22.00000
• Density: 1.16 g/cm³
• LogP: 1.53850
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

2-Methylisoquinolin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Methyl-1(2H)-isoquinolone

There total 51 articles about 2-Methyl-1(2H)-isoquinolone 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: 99.0%

2-methylisoquinolinium iodide (3947-77-1) → N-methylisocarbostyril (4594-71-2)

Guidance literature:

With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 25 ℃; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Mechanism; Green chemistry;

DOI:10.1039/c8gc01488d

Reference yield: 93.0%

1-hydroxyisoquinoline (491-30-5,87602-67-3) → N-methylisocarbostyril (4594-71-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

DOI:10.1002/ejoc.202001371

Reference yield: 93.0%

3-Hydroxy-2-methyl-1-oxotetrahydroisoquinoline (59168-23-9) → N-methylisocarbostyril (4594-71-2)

Guidance literature:

With hydrogenchloride; for 0.0833333h;

DOI:10.1055/s-1982-29803

upstream raw materials:

isoquinoline

methyl p-toluene sulfonate

dimethyl sulfate

1-hydroxyisoquinoline

Downstream raw materials:

2-methyl-1(2H)-thioisoquinolone

2-methyl-3,4-dihydro-2H-isoquinolin-1-one

1-chloroisoquinoline

2-methyl-isoquinoline-1,3,4-trione

Refernces

• 1、 Belgaonkar,Usgaonkar. "-". . p. 3849. Retrieved 1975.
• 2、 Spassov, S. L.,Atanassova, I. A.,Haimova, M. A.. "Carbon-13 NMR Spectra of Isocoumarin, N-Methyl-1(2H)-isoquinolinone and Related Compounds". . p. 194 - 197. Retrieved 1984.
• 3、 Zhou, Meimei,Yu, Keyang,Liu, Jianxin,Shi, Weimei,Pan, Yingming,Tang, Haitao,Peng, Xiangjun,Liu, Qian,Wang, Hengshan. "Light-driven selective aerobic oxidation of (iso)quinoliniums and related heterocycles". . p. 16246 - 16251. Retrieved 2021/05/19.
• 4、 Bansode, Ajay H.,Suryavanshi, Gurunath. "Visible-Light-Induced Controlled Oxidation of N-Substituted 1,2,3,4-Tetrahydroisoquinolines for the Synthesis of 3,4-Dihydroisoquinolin-1(2H)-ones and Isoquinolin-1(2H)-ones". supporting information. p. 1390 - 1400. Retrieved 2021/01/26.