2,3,4,9-Tetrahydro-2-methyl-1-phenyl-1H-pyrido[3,4-b]indole

Base Information

• Chemical Name: 2,3,4,9-Tetrahydro-2-methyl-1-phenyl-1H-pyrido[3,4-b]indole
• CAS No.: 3790-46-3
• Molecular Formula: C18H18N2
• Molecular Weight: 262.354
• DSSTox Substance ID: DTXSID701190425
• Mol file: 3790-46-3.mol

Synonyms:SCHEMBL17518851;DTXSID701190425;2,3,4,9-Tetrahydro-2-methyl-1-phenyl-1H-pyrido[3,4-b]indole;3790-46-3

Chemical Property of 2,3,4,9-Tetrahydro-2-methyl-1-phenyl-1H-pyrido[3,4-b]indole

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 262.146998583
• Heavy Atom Count: 20
• Complexity: 336

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC2=C(C1C3=CC=CC=C3)NC4=CC=CC=C24

Technology Process of 2,3,4,9-Tetrahydro-2-methyl-1-phenyl-1H-pyrido[3,4-b]indole

There total 9 articles about 2,3,4,9-Tetrahydro-2-methyl-1-phenyl-1H-pyrido[3,4-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: 78.0%

2-methyl-1-phenyl-9H-pyrido<3,4-b>indolium iodide (50315-74-7) → 2-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido<3,4-b>indole (3790-46-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; water; 1.) RT, 1h, 2.) from RT to 80 deg C, 30 min;

Reference yield: 70.0%

1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline (3790-45-2,121998-74-1,142696-56-8,148261-76-1) + methyl iodide (74-88-4) → 2-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido<3,4-b>indole (3790-46-3)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1016/j.ejmech.2019.111859

Reference yield:

indole (120-72-9) → 2-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido<3,4-b>indole (3790-46-3)

Guidance literature:

Multi-step reaction with 4 steps

1: diethyl ether / Heating

2: NH₃ / dioxane

3: lithium aluminum hydride / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; ammonia; In tetrahydrofuran; 1,4-dioxane; diethyl ether;

DOI:10.1021/ol026729p

upstream raw materials:

2-methyl-1-phenyl-9H-pyrido<3,4-b>indolium iodide

tryptamine

benzaldehyde

methyl iodide

Downstream raw materials:

2-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido<3,4-b>indole N²-oxide

3-methyl-1-phenyl-3,4,5,10-tetrahydro-1H-<1,2>oxazepino<6,5-b>indole