7-Methoxy-8-nitroisoquinoline

Base Information

• Chemical Name: 7-Methoxy-8-nitroisoquinoline
• CAS No.: 63485-75-6
• Molecular Formula: C10H8N2O3
• Molecular Weight: 204.18200
• European Community (EC) Number: 814-425-1
• DSSTox Substance ID: DTXSID30356224
• Wikidata: Q82135464
• Mol file: 63485-75-6.mol

Synonyms:7-methoxy-8-nitroisoquinoline;63485-75-6;8-nitro-7-methoxyisoquinoline;DTXSID30356224;FT-0671294;AP-406/41885707

Chemical Property of 7-Methoxy-8-nitroisoquinoline

Chemical Property:

• Vapor Pressure: 7.02E-06mmHg at 25°C
• Boiling Point: 388.1oC at 760 mmHg
• Flash Point: 188.5oC
• PSA: 67.94000
• Density: 1.337g/cm3
• LogP: 2.67480
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.05349212
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

7-Methoxy-8-nitroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C=CN=C2)[N+](=O)[O-]
• Uses: 7-Methoxy-8-nitroisoquinoline (cas# 63485-75-6) is a compound useful in organic synthesis.

Technology Process of 7-Methoxy-8-nitroisoquinoline

There total 1 articles about 7-Methoxy-8-nitroisoquinoline 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: 84.0%

7-methoxyisoquinoline (39989-39-4) → 7-methoxy-8-nitro-isoquinoline (63485-75-6)

Guidance literature:

With sulfuric acid; potassium nitrate; at 20 ℃; for 24h;

Reference yield: 85.0%

7-methoxy-8-nitro-isoquinoline (63485-75-6) + methylamine (74-89-5) → 7-methylamino-8-nitroisoquinoline (148556-87-0)

Guidance literature:

In water;

Reference yield:

7-methoxy-8-nitro-isoquinoline (63485-75-6) → 2-amino-3-methyl-3H-imidazo<4,5-h>isoquinoline (147293-14-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / H₂O

2: H₂ / Ni

3: 31 percent / acetonitrile

With hydrogen; nickel; In water; acetonitrile;

upstream raw materials:

7-methoxyisoquinoline

Downstream raw materials:

7-methylamino-8-nitroisoquinoline

2-amino-3-methyl-3H-imidazo<4,5-h>isoquinoline

Refernces

• 1、 Ronne, Erik,Grivas, Spiros. "THE SYNTHESIS OF THREE ISOMERS OF THE FOOD CARCINOGEN IQ". . p. 101 - 105. Retrieved 2007/10/02.