6,7-Dimethoxy-1-methylisoquinoline

Base Information

• Chemical Name: 6,7-Dimethoxy-1-methylisoquinoline
• CAS No.: 4594-02-9
• Molecular Formula: C12H13 N O2
• Molecular Weight: 203.241
• DSSTox Substance ID: DTXSID70196661
• Nikkaji Number: J407.206E
• Wikidata: Q83069687
• Metabolomics Workbench ID: 49408
• Mol file: 4594-02-9.mol

Synonyms:6,7-Dimethoxy-1-methylisoquinoline;Isosalsolidine;Nigellimine;4594-02-9;ISOQUINOLINE, 6,7-DIMETHOXY-1-METHYL-;1-methyl-6,7-dimethoxyisoquinoline;BRN 0148112;4722-12-7;SCHEMBL3974591;DTXSID70196661;1-Methyl-6,7-dimethoxyisochinolin;6,7-Dimethoxy-1-methylisoquinoline, 9CI;LS-85578;5-21-05-00151 (Beilstein Handbook Reference)

Chemical Property of 6,7-Dimethoxy-1-methylisoquinoline

Chemical Property:

• Vapor Pressure: 0.000409mmHg at 25°C
• Boiling Point: 326.5°Cat760mmHg
• Flash Point: 119.6°C
• PSA: 31.35000
• Density: 1.122g/cm³
• LogP: 2.56040
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

6,7-DIMETHOXY-1-METHYL-ISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CC2=CC(=C(C=C12)OC)OC
• Uses: Nigellimine is a naturally occurring compound that belongs to the group of isoquinolines. It can be used as a biomarker in food consumptions. Air oxidant.

Technology Process of 6,7-Dimethoxy-1-methylisoquinoline

There total 4 articles about 6,7-Dimethoxy-1-methylisoquinoline 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:

Papaverine (58-74-2) → 6,7-dimethoxyisoquinoline (15248-39-2) + nigellimine (4594-02-9) + 1,2-dimethoxy-4-methylbenzene (494-99-5) + 1-(3,4-dimethoxy-phenyl)-7,8-dimethoxy-3H-benzo[d]azepine

Guidance literature:

With benzophenone; In ethanol; for 8.5h; Further byproducts given; laser irradiation;

Reference yield:

Papaverine (58-74-2) → 1,2-dimethoxybenzene (91-16-7) + nigellimine (4594-02-9) + 1,2-dimethoxy-4-methylbenzene (494-99-5) + 1-(3,4-dimethoxy-phenyl)-7,8-dimethoxy-3H-benzo[d]azepine

Guidance literature:

With benzophenone; In ethanol; for 8.5h; Further byproducts given; laser irradiation;

Reference yield:

→ emetine (483-19-2) + nigellimine (4594-02-9)

Guidance literature:

With palladium on activated charcoal; at 180 - 190 ℃;

DOI:10.1002/hlca.19440270145

upstream raw materials:

emetine

Papaverine

Downstream raw materials:

6,7-dimethoxy-1-styryl-isoquinoline

1-(3,4-dimethoxy-trans-styryl)-6,7-dimethoxy-isoquinoline

6,7-dimethoxyisoquinoline-1-carboxaldehyde

6,7-Dimethoxy-1,2-dimethylisoquinoliniumiodide

Refernces