2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1-(4-methoxyphenyl)ethanone

Base Information

• Chemical Name: 2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1-(4-methoxyphenyl)ethanone
• CAS No.: 67902-65-2
• Molecular Formula: C₂₀H₂₃NO₄
• Molecular Weight: 341.407
• DSSTox Substance ID: DTXSID001139399

Synonyms:67902-65-2;DTXSID001139399;AKOS032432533;2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1-(4-methoxyphenyl)ethanone

Chemical Property of 2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1-(4-methoxyphenyl)ethanone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 341.16270821
• Heavy Atom Count: 25
• Complexity: 435

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CN2CCC3=CC(=C(C=C3C2)OC)OC

Technology Process of 2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1-(4-methoxyphenyl)ethanone

There total 4 articles about 2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1-(4-methoxyphenyl)ethanone 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: 87.0%

6,7-dimethoxy-2-(4-methoxyphenacyl)-3,4-dihydroisoquinolinium bromide (103143-21-1) → 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-phenyl)-ethanone (67902-65-2)

Guidance literature:

With tri-n-butyl-tin hydride; In methanol; for 0.0833333h; Ambient temperature;

DOI:10.1055/s-1985-31434

Reference yield:

6,7-dimethoxy-3,4-dihydro-isoquinoline (3382-18-1) → 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-phenyl)-ethanone (67902-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 0.33 h / Heating

2: 87 percent / (n-C₄H₉)3SnH / methanol / 0.08 h / Ambient temperature

With tri-n-butyl-tin hydride; In methanol; N,N-dimethyl-formamide;

DOI:10.1055/s-1985-31434

Reference yield:

2-Bromo-4'-methoxyacetophenone (2632-13-5) → 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxy-phenyl)-ethanone (67902-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 0.33 h / Heating

2: 87 percent / (n-C₄H₉)3SnH / methanol / 0.08 h / Ambient temperature

With tri-n-butyl-tin hydride; In methanol; N,N-dimethyl-formamide;

DOI:10.1055/s-1985-31434

upstream raw materials:

6,7-dimethoxy-2-(4-methoxyphenacyl)-3,4-dihydroisoquinolinium bromide

6,7-dimethoxy-3,4-dihydro-isoquinoline

2-Bromo-4'-methoxyacetophenone

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