5-(Pyridin-4-yl)-1H-indole

Base Information

• Chemical Name: 5-(Pyridin-4-yl)-1H-indole
• CAS No.: 90679-35-9
• Molecular Formula: C₁₃H₁₀N₂
• Molecular Weight: 194.236
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50566328
• Wikidata: Q82451905
• Mol file: 90679-35-9.mol

Synonyms:5-(Pyridin-4-yl)-1H-indole;5-Pyridin-4-yl-1H-indole;90679-35-9;SCHEMBL3956542;DTXSID50566328;FRUSCDHKJYONLE-UHFFFAOYSA-N;MFCD04114717;AKOS006281466;AB18840;CS-0268054;A843614;A1-35156;Z1198164311

Chemical Property of 5-(Pyridin-4-yl)-1H-indole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.689
• Boiling Point: 405.128°C at 760 mmHg
• Flash Point: 184.355°C
• PSA: 28.68000
• Density: 1.211g/cm³
• LogP: 3.22990
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.084398327
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

5-(Pyridin-4-yl)-1H-indole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN2)C=C1C3=CC=NC=C3

Technology Process of 5-(Pyridin-4-yl)-1H-indole

There total 3 articles about 5-(Pyridin-4-yl)-1H-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: 65.0%

4-bromopyridin (1120-87-2) + 1H-indole-5-boronic acid (144104-59-6) → 5-(4-pyridyl)indole (90679-35-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,2-dimethoxyethane; for 4h; Heating;

Reference yield: 63.0%

tert-butyl 5-pyridin-4-yl-indole-1-carboxylate (926028-78-6) → 5-(4-pyridyl)indole (90679-35-9)

Guidance literature:

With methanol; sodium hydroxide; water; In tetrahydrofuran; for 1h; Heating / reflux;

Reference yield:

1H-indole-5-boronic acid (144104-59-6) → 5-(4-pyridyl)indole (90679-35-9)

Guidance literature:

1H-indole-5-boronic acid; pyridin-4-yl derivative; With palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate; In butan-1-ol; at 20 ℃; for 0.25h; Inert atmosphere;

With sodium hydroxide; In water; butan-1-ol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b03596

upstream raw materials:

4-bromopyridin

1H-indole-5-boronic acid

tert-butyl 5-pyridin-4-yl-indole-1-carboxylate

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