Pyrido[3,4-g]isoquinoline

Base Information

• Chemical Name: Pyrido[3,4-g]isoquinoline
• CAS No.: 51521-29-0
• Molecular Formula: C12H8N2
• Molecular Weight: 180.20500
• European Community (EC) Number: 855-070-2
• DSSTox Substance ID: DTXSID50517017
• Nikkaji Number: J792.217E
• Wikidata: Q82378736
• Mol file: 51521-29-0.mol

Synonyms:pyrido[3,4-g]isoquinoline;51521-29-0;2,6-diazaanthracene;pyrido[3,4-g]isochinolin;SCHEMBL4036768;DTXSID50517017;CXKVSEWPNCOXRI-UHFFFAOYSA-N;AKOS006372478;EN300-8588796

Chemical Property of Pyrido[3,4-g]isoquinoline

Chemical Property:

• PSA: 25.78000
• LogP: 2.78300
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 180.068748264
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99%, ^*data from raw suppliers

Pyrido[3,4-g]isoquinoline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=CC3=C(C=C21)C=NC=C3

Technology Process of Pyrido[3,4-g]isoquinoline

There total 7 articles about Pyrido[3,4-g]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: 95.0%

5,10-Dihydropyrido<3,4-g>isoquinoline (117727-16-9) → pyrido<3,4-g>isoquinoline (51521-29-0)

Guidance literature:

palladium on activated charcoal; In diethylene glycol dimethyl ether; for 15h; Heating;

DOI:10.1055/s-1988-27584

Reference yield: 7.3%

5,10-dichloropyrido<3,4-g>isoquinoline (85575-13-9) → pyrido<3,4-g>isoquinoline (51521-29-0)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In diethylene glycol dimethyl ether; for 24h;

Reference yield:

2,5-dichloro-N,N'-bis<2-(dimethoxy)ethyl>-p-xylene-α,α'-diamine dihydrochloride (85575-12-8) → pyrido<3,4-g>isoquinoline (51521-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 14 percent / H₂SO₄ (20percent SO₃) / 24 h / 90 - 95 °C

2: 7.3 percent / H₂, sodium acetate / 5percent Pd/C / bis-(2-methoxy-ethyl) ether / 24 h

With sulfuric acid; sulfur trioxide; hydrogen; sodium acetate; palladium on activated charcoal; In diethylene glycol dimethyl ether;

upstream raw materials:

5,10-dichloropyrido<3,4-g>isoquinoline

N,N'-bis<2-(dimethoxy)ethyl>-p-xylene-α,α'-diamine dihydrochloride

N,N'-bis<2-(diethoxy)ethyl>-p-xylene-α,α'-diamine dihydrochloride

5,10-Dihydropyrido<3,4-g>isoquinoline

Refernces

• 1、 -. "Organic photochromic compound, a dimer of pyrido quinoline". . . Retrieved 2008/06/13.
• 2、 Schwan, Thomas J.,Miles, Nelson J.. "The Cyclization of N,N'-Bisisoquinoline and 3,8-Phenanthroline". . p. 1351 - 1353. Retrieved 2007/10/02.