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

Base Information

• Chemical Name: 1-phenyl-9H-pyrido[3,4-b]indole
• CAS No.: 16765-79-0
• Molecular Formula: C17H12N2
• Molecular Weight: 244.296
• DSSTox Substance ID: DTXSID60357587
• Nikkaji Number: J590.455B
• Wikidata: Q82137551
• ChEMBL ID: CHEMBL14338,CHEMBL3975325
• Mol file: 16765-79-0.mol

Synonyms:1-phenyl-9H-pyrido[3,4-b]indole;16765-79-0;CHEMBL3975325;1-Phenyl-9H-beta-carboline;CHEMBL14338;AMY212;SCHEMBL24105915;DTXSID60357587;NPD5504;BDBM50205688;STL513045;AKOS027252401;InChI=1/C17H12N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11,19

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

Chemical Property:

• Melting Point: 246 °C
• Boiling Point: 489.5±25.0 °C(Predicted)
• PSA: 28.68000
• Density: 1.256±0.06 g/cm3(Predicted)
• LogP: 4.38310
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.100048391
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

≥98% ^*data from raw suppliers

1-Phenyl-9H-pyrido[3,4-b]indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=CC3=C2NC4=CC=CC=C34

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

There total 69 articles about 1-phenyl-9H-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: 99.0%

1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline (3790-45-2,121998-74-1,142696-56-8,148261-76-1) → 1-phenyl-9H-pyrido[3,4-b]indole (16765-79-0)

Guidance literature:

With manganese oxide octahedral molecular sieve nanocomposite doped with sodium phosphowolframate (H₃PO_4*12WO₃); air; In 1,2-dichloro-benzene; at 130 ℃; for 8h; chemoselective reaction; Catalytic behavior;

DOI:10.1039/d1dt00168j

Reference yield: 97.0%

tryptamine (61-54-1) + benzaldehyde (100-52-7) → 1-phenyl-9H-pyrido[3,4-b]indole (16765-79-0)

Guidance literature:

With palladium 10% on activated carbon; In methanol; dichloromethane; at 130 ℃; for 20h;

DOI:10.1039/c4gc00037d

Reference yield: 95.0%

2,3,4,9-tetrahydro-1-phenyl-2-tosyl-1H-pyrido[3,4-b]indole (17071-83-9) → 1-phenyl-9H-pyrido[3,4-b]indole (16765-79-0)

Guidance literature:

With oxygen; sodium hydroxide; In water; dimethyl sulfoxide; at 125 ℃; for 4h;

DOI:10.1002/ejoc.201001153

upstream raw materials:

1-phenyl-4,9-dihydro-3H-β-carboline

1-Phenyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

2,2-dimethyl-N-(2-(3-fluoro-2-phenyl-4-pyridyl)phenyl)propanamide

1-Phenyl-2-(p-toluenesulfonyl)-1,2-dihydro-β-carboline

Downstream raw materials:

6-nitro-1-phenyl-9H-pyrido<3,4-b>indole

8-nitro-1-phenyl-9H-pyrido<3,4-b>indole

6-amino-1-phenyl-9H-pyrido<3,4-b>indole

8-amino-1-phenyl-9H-pyrido<3,4-b>indole