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

Base Information

• Chemical Name: 3-methyl-5H-pyrido[4,3-b]indole
• CAS No.: 58096-07-4
• Molecular Formula: C12H10N2
• Molecular Weight: 182.2212
• DSSTox Substance ID: DTXSID60973680
• Nikkaji Number: J764.928B
• Wikidata: Q82957689
• ChEMBL ID: CHEMBL261200

Synonyms:3-methyl-5H-pyrido[4,3-b]indole;58096-07-4;3-Methyl-5H-pyrido(4,3-b)indole;5H-Pyrido(4,3-b)indole, 3-methyl-;MLS001181007;CHEMBL261200;SCHEMBL13100678;DTXSID60973680;HMS2842J05;AKOS006294398;NCGC00247251-01;SMR000477837;AQ-405/42300581

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

Chemical Property:

• Vapor Pressure: 7.61E-06mmHg at 25°C
• Boiling Point: 386.9°C at 760 mmHg
• Flash Point: 176.2°C
• Density: 1.252g/cm³
• XLogP3: 2.7
• 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=CC2=C(C=N1)C3=CC=CC=C3N2

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

There total 8 articles about 3-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: 74.0%

(E)-2-(1-propen-1-yl)indole-3-carboxaldehyde → 3-methyl-5H-pyrido<4,3-b>indole (58096-07-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In 1,4-dioxane; for 24h; Reflux; Inert atmosphere;

DOI:10.1080/00397911.2015.1103874

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:

C14H16N2O2 → 3-methyl-5H-pyrido<4,3-b>indole (58096-07-4)

Guidance literature:

With phosphoric acid; at 165 ℃; for 0.5h;

DOI:10.1016/j.bmc.2008.01.052

upstream raw materials:

4-chIoro-2-methylpyridine

1,2,3-Benzotriazole

1-benzenesulfonylindole

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