1H-Pyrido[2,3-b]indole, 2-methyl-

Base Information

• Chemical Name: 1H-Pyrido[2,3-b]indole, 2-methyl-
• CAS No.: 17276-85-6
• Molecular Formula: C12H10N2
• Molecular Weight: 182.225
• ChEMBL ID: CHEMBL1255761
• DSSTox Substance ID: DTXSID40486006
• Nikkaji Number: J1.503.038K
• Wikidata: Q82325873
• Mol file: 17276-85-6.mol

Synonyms:1H-Pyrido[2,3-b]indole, 2-methyl-;2-methyl-9H-pyrido[2,3-b]indole;17276-85-6;methylazacarbazole;SCHEMBL676055;CHEMBL1255761;DTXSID40486006

Chemical Property of 1H-Pyrido[2,3-b]indole, 2-methyl-

Chemical Property:

• PSA: 28.68000
• LogP: 3.02450
• XLogP3: 3.3
• 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:

2-methyl-9H-Pyrido[2,3-b]indole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C=C1)C3=CC=CC=C3N2

Technology Process of 1H-Pyrido[2,3-b]indole, 2-methyl-

There total 22 articles about 1H-Pyrido[2,3-b]indole, 2-methyl- 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: 96.0%

2-methyl-9H-pyrido[2,3-b]indole 1-oxide (26148-56-1) → 9H-2-methylpyrido[2,3-b]indole (17276-85-6)

Guidance literature:

With titanium tetrachloride; tin(ll) chloride; In benzene; for 0.5h; Ambient temperature;

Reference yield: 90.0%

tert-butyl 3-(3-(methoxyimino)but-1-en-1-yl)-1H-indole-1-carboxylate (1497421-80-3) → 9H-2-methylpyrido[2,3-b]indole (17276-85-6)

Guidance literature:

In 1,2-dichloro-benzene; at 240 ℃; for 3h; Sealed tube; Microwave irradiation;

DOI:10.1021/ol403191k

Reference yield: 82.0%

5-methyl-8-phenyltetrazolo[1,5-a]pyridine → 9H-2-methylpyrido[2,3-b]indole (17276-85-6)

Guidance literature:

With silver hexafluoroantimonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; In benzene; at 130 ℃; for 12h; Sealed tube; Glovebox; Inert atmosphere;

DOI:10.1021/jacs.8b05343

upstream raw materials:

1-(6-methylpyridin-2-yl)-1H-benzo[d][1,2,3]triazole

2-methyl-9H-pyrido[2,3-b]indole 1-oxide

6-chloro-2-picoline

2-bromo-6-methylpyridine

Downstream raw materials:

6-benzoyl-2-methyl-9H-pyrido[2,3-b]indole