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

Base Information

• Chemical Name: 4-Methyl-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 70079-42-4
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.203
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID40554810
• Nikkaji Number: J3.093.266H
• Mol file: 70079-42-4.mol

Synonyms:4-Methyl-3,4-dihydro-2H-isoquinolin-1-one;70079-42-4;4-METHYL-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE;SCHEMBL6635520;4-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE;DTXSID40554810;QWSNVLHWJMUVCZ-UHFFFAOYSA-N;VCA07942;MFCD04114874;AKOS006293433;AB19151;CS-0341141

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

Chemical Property:

• PSA: 29.10000
• LogP: 1.86230
• 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

4-Methyl-3,4-dihydro-2H-isoquinolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNC(=O)C2=CC=CC=C12

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

There total 10 articles about 4-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: 88.0%

(2-phenyl-propyl)carbamic acid methyl ester (111635-03-1) → 4-methyl-3,4-dihydro-2H-isoquinolin-1-one (70079-42-4)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 70 ℃; for 19h;

DOI:10.1021/jo3020566

Reference yield: 84.0%

1-(4-nitrophenyl)-3-(2-phenylpropyl)urea (1392825-21-6) → 4-methyl-3,4-dihydro-2H-isoquinolin-1-one (70079-42-4)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c2cc34062c

Reference yield: 84.0%

→ 4-methyl-3,4-dihydro-2H-isoquinolin-1-one (70079-42-4)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 50 ℃; for 12h;

upstream raw materials:

N-Hydroxy-3-phenyl-butyramide

(2-phenyl-propyl)carbamic acid methyl ester

N-benzoyl-4-methyl-1,2,3,4-tetrahydroisoquinoline

2-phenylpropylamine

Downstream raw materials:

N-benzoyl-4-methyl-1,2,3,4-tetrahydroisoquinoline

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