N-Methylisoquinolinium

Base Information

• Chemical Name: N-Methylisoquinolinium
• CAS No.: 33718-23-9
• Molecular Formula: C₁₀H₁₀N
• Molecular Weight: 144.196
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60187402
• Nikkaji Number: J259.826D
• Wikidata: Q83059102
• ChEMBL ID: CHEMBL74168
• Mol file: 33718-23-9.mol

Synonyms:2-methylisoquinolinium;N-methylisoquinolinium;N-methylisoquinolinium chloride;N-methylisoquinolinium iodide;N-MIQ

Chemical Property of N-Methylisoquinolinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.88000
• Density: g/cm³
• LogP: 1.66430
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 144.081324323
• Heavy Atom Count: 11
• Complexity: 133

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=CC2=CC=CC=C2C=C1

Technology Process of N-Methylisoquinolinium

There total 5 articles about N-Methylisoquinolinium 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: 25.0%

oxaziridinium fluoroborate → 2-methyl-3,4-dihydro-2H-isoquinolin-1-one (6772-65-2) + N-methylisoquinolinium (33718-23-9)

Guidance literature:

With sodium carbonate; In water; for 0.166667h; Product distribution;

Reference yield:

isoquinoline (119-65-3) + S-adenosyl-L-methionine (485-80-3,15519-60-5,60018-85-1,60018-86-2,79845-28-6) → N-methylisoquinolinium (33718-23-9)

Guidance literature:

With pyridine; DL-dithiothreitol; In aq. buffer; at 37 ℃; for 0.0833333h; pH=8.6; Kinetics; Enzymatic reaction;

DOI:10.1021/acs.biochem.6b00733

Reference yield:

2-methyl-1,2-dihydro-isoquinoline-1-carbonitrile (37039-59-1) → N-methylisoquinolinium (33718-23-9)

Guidance literature:

With iodine; other oxidizing agents;

DOI:10.1007/BF00479610

upstream raw materials:

2-methyl-1,2-dihydro-isoquinoline-1-carbonitrile

isoquinoline

S-adenosyl-L-methionine

Downstream raw materials:

N-methyl-1,2,3,4-tetrahydroisoquinoline

1-propyl-3-carbamoylpyridinium

2-methyl-1,2,3,4-tetrahydroisoquinoline

N-methylisocarbostyril

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