6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinolin-3(2H)-one

Base Information

• Chemical Name: 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinolin-3(2H)-one
• CAS No.: 38973-36-3
• Molecular Formula: C20H21NO5
• Molecular Weight: 355.38400
• DSSTox Substance ID: DTXSID90434350
• Nikkaji Number: J582.440K
• Wikidata: Q82248736
• Mol file: 38973-36-3.mol

Synonyms:38973-36-3;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one;SCHEMBL11575318;DTXSID90434350;6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinolin-3(2H)-one

Chemical Property of 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinolin-3(2H)-one

Chemical Property:

• PSA: 70.04000
• LogP: 3.56560
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 355.14197277
• Heavy Atom Count: 26
• Complexity: 688

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2)OC)OC)OC

Technology Process of 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinolin-3(2H)-one

There total 10 articles about 6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinolin-3(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: 85.0%

ethyl 2-<2'-<1''-(3,4-dimethoxyphenyl)-2''-oxoethyl>-4',5'-dimethoxyphenyl>acetic acid (40940-49-6) + formamide (77287-34-4,77287-35-5,60100-09-6) → 1-(3',4'-dimethoxybenzyl)-6,7-dimethoxyisoquinoline-3-one (38973-36-3)

Guidance literature:

With acetic acid; for 6h; Heating;

DOI:10.1080/00397919408011710

Reference yield:

1-(3',4'-dimethoxybenzyl)-6,7-dimethoxy-4-bromoisoquinolin-3-one (85155-40-4) → 1-(3',4'-dimethoxybenzyl)-6,7-dimethoxyisoquinoline-3-one (38973-36-3)

Guidance literature:

With n-butyl tin hydride; 2,2'-azobis(isobutyronitrile); In benzene; for 18h; Yield given; Heating;

DOI:10.1016/S0040-4020(01)85073-0

Reference yield:

o-homoveratroylhomoveratric acid (26954-85-8) → 1-(3,4-dimethoxybenzyl)-3-hydroxy-6,7-dimethoxyisoquinoline (38973-36-3)

Guidance literature:

With ammonium acetate; acetic acid; for 1h; Heating;

DOI:10.1021/jm010304b

upstream raw materials:

3-amino-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

o-homoveratroylhomoveratric acid

(3,4-Dimethoxyphenyl)acetic acid

3-acetylamino-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

Downstream raw materials:

(3,4-dimethoxy-phenyl)-(3-hydroxy-6,7-dimethoxy-isoquinolin-1-yl)-methanone

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

6,7-dimethoxy-2-methyl-1-veratryl-3(2H)-isoquinolone hydrochloride

1-(3',4'-dimethoxybenzyl)-1,6,7-trimethoxyisoquinoline-3,4-dione

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