1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(phenylmethyl)-

Base Information

• Chemical Name: 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(phenylmethyl)-
• CAS No.: 70539-84-3
• Molecular Formula: C19H20N2
• Molecular Weight: 276.381
• DSSTox Substance ID: DTXSID80425075
• Nikkaji Number: J2.943.658D
• Wikidata: Q82237828
• ChEMBL ID: CHEMBL4856643

Synonyms:CHEMBL4856643;ChemDiv2_005448;1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(phenylmethyl)-;70539-84-3;SCHEMBL2593829;DTXSID80425075;HLKQPYUVQYSQSX-UHFFFAOYSA-N;HMS1384H14;BDBM50572078;IDI1_004163;2-Benzyl-8-methyl-1H-piperidino[4,3-b]indole;SR-01000549693;SR-01000549693-1;2-benzyl-8-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole

Chemical Property of 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(phenylmethyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 276.162648646
• Heavy Atom Count: 21
• Complexity: 350

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC3=C2CN(CC3)CC4=CC=CC=C4

Technology Process of 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(phenylmethyl)-

There total 11 articles about 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(phenylmethyl)- 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: 45.0%

1-phenylmethyl-4-piperidone (3612-20-2) + N-4-methylphenylhydrazine (539-44-6) → 2-benzyl-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (70539-84-3)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 60 ℃;

DOI:10.1016/j.bmc.2021.116355

Reference yield:

(1-benzylpiperidin-4-ylidene)-(3-chloro-4-methylphenyl)amine (1346446-52-3) → 2-benzyl-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (70539-84-3)

Guidance literature:

With sodium amide; sodium t-butanolate; In tetrahydrofuran; at 55 - 60 ℃; for 24h; Inert atmosphere;

Reference yield:

Br(1-)*C19H17N2(1+) (1296771-01-1) → 2-benzyl-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (70539-84-3)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; at 20 - 100 ℃; Inert atmosphere;

DOI:10.1021/ol2008268

upstream raw materials:

3-(2-azido-5-methylphenyl)pyridine

Br^(1-)*C₁₉H₁₇N₄⁽¹⁺⁾

Br^(1-)*C₁₉H₁₇N₂⁽¹⁺⁾

3-(2-amino-5-methylphenyl)pyridine

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