(4-Chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone
• CAS No.: 20359-08-4
• Molecular Formula: C18H14ClNO3
• Molecular Weight: 327.767
• ChEMBL ID: CHEMBL421555
• DSSTox Substance ID: DTXSID60509827
• Nikkaji Number: J2.028.344K
• Wikidata: Q82367713

Synonyms:20359-08-4;(4-Chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone;CHEMBL421555;DTXSID60509827

Chemical Property of (4-Chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 327.0662210
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=CC=C(C=C3)Cl)OC

Technology Process of (4-Chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone

There total 5 articles about (4-Chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone 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: 67.0%

1-(4-chloro-benzyl)-6,7-dimethoxy-3,4-dihydro-isoquinoline (47216-54-6) → (4-chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone (20359-08-4)

Guidance literature:

With oxygen; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 120 ℃; for 3h;

DOI:10.1016/j.tetlet.2011.01.058

Reference yield: 54.0%

1-(4-chlorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (47216-53-5) → (4-chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone (20359-08-4)

Guidance literature:

With oxygen; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 120 ℃; for 10h;

DOI:10.1016/j.tetlet.2011.01.058

Reference yield: 32.0%

2-acetyl-1-(4-chlorobenzylidene)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline (112970-38-4) → (4-chlorophenyl)(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (20345-67-9) + (4-chlorophenyl)(6,7-dimethoxyisoquinolin-1-yl)methanone (20359-08-4)

Guidance literature:

With pyridine; lead(IV) acetate; In benzene; at 45 ℃;

DOI:10.1021/jo00241a011

upstream raw materials:

2-acetyl-1-(4-chlorobenzylidene)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline

1-(4-chloro-benzyl)-6,7-dimethoxy-3,4-dihydro-isoquinoline

(4-chlorophenyl)(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

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

Downstream raw materials:

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

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