3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide

Base Information

• Chemical Name: 3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide
• CAS No.: 3947-79-3
• Molecular Formula: C21H26NO4+
• Molecular Weight: 483.346
• NSC Number: 141522
• DSSTox Substance ID: DTXSID50960100
• Mol file: 3947-79-3.mol

Synonyms:NSC 141522;3947-79-3;3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide;ISOQUINOLINIUM, 3,4-DIHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYL-, IODIDE;C21-H26-N-O4.I;DTXSID50960100;NSC141522;NSC-141522;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide;LS-86077

Chemical Property of 3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 483.09066
• Heavy Atom Count: 27
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3)OC)OC.[I-]

Technology Process of 3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide

There total 2 articles about 3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide 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: 90.0%

3,4-dihydropapaverine (6957-27-3) + methyl iodide (74-88-4) → 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium iodide (3947-79-3)

Guidance literature:

In methanol; for 3h; Heating;

Reference yield:

Hydroxylaudanosin (64962-18-1) → 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium iodide (3947-79-3)

Guidance literature:

With hydrogen iodide; In ethanol; at 25 ℃; Equilibrium constant;

DOI:10.1135/cccc19800956

Reference yield: 90.0%

1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium iodide (3947-79-3) → (+/-)-<1-D>laudanosine (74914-50-4)

Guidance literature:

With sodium borodeuteride; deuteromethanol; In water-d2;

DOI:10.1071/CH9800379c

upstream raw materials:

3,4-dihydropapaverine

methyl iodide

Hydroxylaudanosin

Downstream raw materials:

6,7-dimethoxy-1,2-dimethyl-1-veratryl-1,2,3,4-tetrahydro-isoquinoline

Hydroxylaudanosin

6,7-dimethoxy-N-methyl-2H-3,4-dihydroisoquinolin-1-one

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

Refernces

• 1、 Walterova,Preininger,Dolejs,et al.. "Pseudobase formation in 2-methylpapaverinium cations and their biotransformation by enzymes of rat liver homogenates in vitro". . p. 956 - 965. Retrieved 2007/10/02.