1-methyl-5H-pyrido[4,3-b]indole

Base Information

• Chemical Name: 1-methyl-5H-pyrido[4,3-b]indole
• CAS No.: 147057-12-3
• Molecular Formula: C₁₂H₁₀N₂
• Molecular Weight: 182.225
• DSSTox Substance ID: DTXSID60933022
• Nikkaji Number: J764.926F
• Wikidata: Q82908806
• ChEMBL ID: CHEMBL259305
• Mol file: 147057-12-3.mol

Synonyms:1-methyl-5H-pyrido[4,3-b]indole;147057-12-3;1-Methyl-5H-pyrido(4,3-b)indole;AQ-405/42300586;CHEMBL259305;SCHEMBL13100676;DTXSID60933022;methyl-5h-pyrido[4,3-b] indole;AKOS006292415

Chemical Property of 1-methyl-5H-pyrido[4,3-b]indole

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.084398327
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CC2=C1C3=CC=CC=C3N2

Technology Process of 1-methyl-5H-pyrido[4,3-b]indole

There total 1 articles about 1-methyl-5H-pyrido[4,3-b]indole 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: 28.0%

1-(2-Methyl-pyridin-4-yl)-1H-benzotriazole → SK1M (147057-12-3) + 3-methyl-5H-pyrido<4,3-b>indole (58096-07-4)

Guidance literature:

With pyrophosphoric acid; at 150 ℃;

DOI:10.1021/jo960266h

Reference yield: 77.0%

mesitylenesulfonylhydroxylamine (36016-40-7) + SK1M (147057-12-3) → 2-amino-1-methyl-5H-pyrido<4,3-b>indol-5-inium mesitylenesulfonate

Guidance literature:

In dichloromethane; Ambient temperature;

DOI:10.1021/jo982216d

Reference yield:

SK1M (147057-12-3) → 2,3-dimethyl-8H-pyridazino<1',6':1,2>pyrido<4,3-b>indol-5-inium mesitylenesulfonate

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / CH₂Cl₂ / Ambient temperature

2: 75 percent / Et₃N / methanol; acetone / Heating

With triethylamine; In methanol; dichloromethane; acetone;

DOI:10.1021/jo982216d