2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline

Base Information

• Chemical Name: 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline
• CAS No.: 39945-32-9
• Molecular Formula: C₂₀H₂₂N₂O₄
• Molecular Weight: 354.406
• NSC Number: 123407
• DSSTox Substance ID: DTXSID60298481
• Nikkaji Number: J826.467H
• Wikidata: Q82040313
• ChEMBL ID: CHEMBL1569091
• Mol file: 39945-32-9.mol

Synonyms:39945-32-9;2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline;NSC123407;ST037656;Cambridge id 7111706;Oprea1_335137;MLS000692823;SCHEMBL5597976;CHEMBL1569091;DTXSID60298481;HMS1681N15;HMS2627K15;STK734253;AKOS000597284;NSC-123407;SMR000285205;EU-0052666;SR-01000531770;SR-01000531770-1;BRD-K06198428-001-09-6;BRD-K06198428-001-11-2

Chemical Property of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline

Chemical Property:

• Vapor Pressure: 1.24E-11mmHg at 25°C
• Boiling Point: 537.7°Cat760mmHg
• Flash Point: 279°C
• Density: 1.203g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 354.15795719
• Heavy Atom Count: 26
• Complexity: 438

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=C2CC3=CC(=C(C=C3N)OC)OC)OC

Technology Process of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline

There total 2 articles about 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline 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:

→ 2-(6,7-dimethoxyisoquinolin-1-ylmethyl)-4,5-dimethoxyaniline (39945-32-9)

Guidance literature:

With hydrogenchloride; ethanol; tin(ll) chloride;

Reference yield:

→ 2-(6,7-dimethoxyisoquinolin-1-ylmethyl)-4,5-dimethoxyaniline (39945-32-9)

Guidance literature:

6'-Nitropapvrin, H2, Pd/C;

DOI:10.1021/jo00953a024

Reference yield: 86.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-(6,7-dimethoxyisoquinolin-1-ylmethyl)-4,5-dimethoxyaniline (39945-32-9) → 1-[4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzyl]-6,7=dimethoxyisoquinoline (928832-18-2)

Guidance literature:

With acetic acid; for 1h; Heating;

DOI:10.1134/S1070428006040154

Downstream raw materials:

1-[4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzyl]-6,7=dimethoxyisoquinoline