9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-

Base Information

• Chemical Name: 9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-
• CAS No.: 139655-06-4
• Molecular Formula: C₁₈H₁₄N₂O
• Molecular Weight: 274.322
• DSSTox Substance ID: DTXSID50358982
• Nikkaji Number: J590.456K
• Wikidata: Q82139944
• ChEMBL ID: CHEMBL14025
• Mol file: 139655-06-4.mol

Synonyms:9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-;139655-06-4;CHEMBL14025;DTXSID50358982;STL565363;AKOS032429567;1-(4-methoxyphenyl)-9H-beta-carboline

Chemical Property of 9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-

Chemical Property:

• Melting Point: 159-160 °C
• Boiling Point: 517.0±40.0 °C(Predicted)
• PSA: 37.91000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 4.39170
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.110613074
• Heavy Atom Count: 21
• Complexity: 353

Purity/Quality:

99%+, ^*data from raw suppliers

1-(4-METHOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC=CC3=C2NC4=CC=CC=C34

Technology Process of 9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-

There total 27 articles about 9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)- 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%

2,3,4,9-tetrahydro-1-(4-methoxyphenyl)-2-tosyl-1H-pyrido[3,4-b]indole (296797-76-7) → 1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (139655-06-4)

Guidance literature:

With oxygen; sodium hydroxide; In water; dimethyl sulfoxide; at 125 ℃; for 5h;

DOI:10.1002/ejoc.201001153

Reference yield: 93.0%

(3S)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (324518-45-8) → 1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (139655-06-4)

Guidance literature:

With N-chloro-succinimide; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1039/c5ra16221a

Reference yield: 93.0%

1-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1H-pyrido[3,4-b]indole (3380-73-2,121998-75-2) → 1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole (139655-06-4)

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

upstream raw materials:

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

1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

3-ethenyl-1-phenylsulfonyl-1H-indole

4-methoxybenzonitrile