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

Base Information

• Chemical Name: 6-Hydroxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 308110-07-8
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• European Community (EC) Number: 870-343-6
• Mol file: 308110-07-8.mol

Synonyms:6-Hydroxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one;308110-07-8;6-hydroxy-2-methyl-3,4-dihydroisoquinolin-1-one;6-hydroxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one;1(2H)-Isoquinolinone, 3,4-dihydro-6-hydroxy-2-methyl-;SCHEMBL2386757;FDHLLTYAKGOFLY-UHFFFAOYSA-N;MFCD13179449;AS-69283;CS-0151097;FT-0737696;D70738;EN300-114487;A929161;6-hydroxy-2-methyl-3,4-dihydro-2H-isoquinolin-1-one;Z1255436417;3,4-dihydro-6-hydroxy-2-methyl-1(2H)-Isoquinolinone

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

Chemical Property:

• PSA: 40.54000
• LogP: 0.95820
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

6-Hydroxy-2-methyl-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: CN1CCC2=C(C1=O)C=CC(=C2)O

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

There total 5 articles about 6-Hydroxy-2-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: 83.1%

6-methoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone (35714-27-3) → 6-hydroxyl-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (308110-07-8)

Guidance literature:

With hydrogen bromide; In water; at 100 ℃;

DOI:10.1016/j.ejmech.2020.112709

Reference yield:

6-methoxy-1,2,3,4-tetrahydro-1-oxoisoquinoline (22246-12-4) → 6-hydroxyl-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (308110-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran; toluene

1.2: tetrahydrofuran; toluene / 2 h

2.1: BBr₃ / CH₂Cl₂ / 25 °C

With boron tribromide; sodium hydride; In tetrahydrofuran; dichloromethane; toluene; 1.1: deprotionation / 1.2: Methylation / 2.1: demethylation;

DOI:10.1021/jm000228x

Reference yield:

ethyl-N-<2-(3-methoxyphenyl)ethyl>-carbamate (33543-63-4) → 6-hydroxyl-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (308110-07-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 76 percent / polyphosphoric acid / 1.5 h / 120 °C

2.1: NaH / tetrahydrofuran; toluene

2.2: tetrahydrofuran; toluene / 2 h

3.1: BBr₃ / CH₂Cl₂ / 25 °C

With PPA; boron tribromide; sodium hydride; In tetrahydrofuran; dichloromethane; toluene; 1.1: Cyclization / 2.1: deprotionation / 2.2: Methylation / 3.1: demethylation;

DOI:10.1021/jm000228x

upstream raw materials:

6-methoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone

ethyl-N-<2-(3-methoxyphenyl)ethyl>-carbamate

6-methoxy-1,2,3,4-tetrahydro-1-oxoisoquinoline

2-(3-methoxyphenyl)-1-ethanamine

Downstream raw materials:

6-[hydroxy(phenyl)methyl]-2-methyl-3,4-dihydro-1(2H)-isoquinolinone

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