1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(chloroacetyl)-1-(4-nitrophenyl)isoquinoline

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(chloroacetyl)-1-(4-nitrophenyl)isoquinoline
• CAS No.: 66040-43-5
• Molecular Formula: C19H19ClN2O5
• Molecular Weight: 390.823
• DSSTox Substance ID: DTXSID801129247
• Nikkaji Number: J519.049E

Synonyms:DTXSID801129247;1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(chloroacetyl)-1-(4-nitrophenyl)isoquinoline;2-Chloro-1-[3,4-dihydro-6,7-dimethoxy-1-(4-nitrophenyl)-2(1H)-isoquinolinyl]ethanone;66040-43-5

Chemical Property of 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(chloroacetyl)-1-(4-nitrophenyl)isoquinoline

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 390.0982494
• Heavy Atom Count: 27
• Complexity: 535

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2C(N(CCC2=C1)C(=O)CCl)C3=CC=C(C=C3)[N+](=O)[O-])OC

Technology Process of 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(chloroacetyl)-1-(4-nitrophenyl)isoquinoline

There total 3 articles about 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(chloroacetyl)-1-(4-nitrophenyl)isoquinoline 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-chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide (14301-31-6) + 4-nitrobenzaldehdye (555-16-8) → 2-chloroacetyl-6,7-dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline (66040-43-5)

Guidance literature:

With sulfuric acid; acetic acid; for 240h; Ambient temperature;

DOI:10.1080/00397919208021138

Reference yield:

6,7-dimethoxy-1-(4'-nitrophenyl)-1,2,3,4-tetrahydrioisoquinoline (47281-61-8) + chloroacetyl chloride (79-04-9) → 2-chloroacetyl-6,7-dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline (66040-43-5)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 1.5h;

DOI:10.1021/jm060411b

Reference yield:

→ 2-chloroacetyl-6,7-dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline (66040-43-5)

Guidance literature:

Verb. /BRN= 545370/, Cl-CH2-C(=O)-Cl;

DOI:10.1055/s-1978-24677

upstream raw materials:

2-chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide

4-nitrobenzaldehdye

6,7-dimethoxy-1-(4'-nitrophenyl)-1,2,3,4-tetrahydrioisoquinoline

chloroacetyl chloride

Downstream raw materials:

1-[6,7-dimethoxy-1-(4-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-piperidin-1-yl-ethanone

1-[6,7-dimethoxy-1-(4-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-morpholin-4-yl-ethanone

2-(diethylaminoacetyl)-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

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