5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

Base Information

• Chemical Name: 5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
• CAS No.: 223646-08-0
• Molecular Formula: C13H10N2O
• Molecular Weight: 210.235
• ChEMBL ID: CHEMBL1983630
• DSSTox Substance ID: DTXSID70573433
• Nikkaji Number: J1.584.502C
• Wikidata: Q82462158
• Mol file: 223646-08-0.mol

Synonyms:5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one;223646-08-0;5-phenyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-phenyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one;Kinome_3292;5-phenyl-7-azaoxindole;SCHEMBL5873863;CHEMBL1983630;DTXSID70573433;QVGIGZLDWCWJDZ-UHFFFAOYSA-N;J-517916;5-phenyl-1,3dihydro-2H-pyrrolo[2,3-b]pyridin-2-one

Chemical Property of 5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

Chemical Property:

• Boiling Point: 387.0±52.0 °C(Predicted)
• PKA: 3.20±0.20(Predicted)
• PSA: 45.48000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 2.32830
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

≥99% ^*data from raw suppliers

5-Phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(NC1=O)N=CC(=C2)C3=CC=CC=C3

Technology Process of 5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

There total 3 articles about 5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 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: 51.4%

5-bromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one (183208-34-6) + phenylboronic acid (98-80-6) → 5-phenyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one (223646-08-0)

Guidance literature:

With sodium carbonate; lithium chloride; bis-triphenylphosphine-palladium(II) chloride; In ethanol; water; toluene; at 95 ℃; for 18h;

Reference yield:

5-bromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one (183208-34-6) + Melanin + phenylboronic acid (98-80-6) → 5-phenyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one (223646-08-0)

Guidance literature:

With sodium carbonate; lithium chloride; dichlorobis(triphenylphosphine)palladium[II]; In ethanol; toluene;

Reference yield:

C12H11N3 → 5-phenyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one (223646-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / methanol / 1 h / 20 - 65 °C

2: tetraethylammonium bromide; 1,8-diazabicyclo[5.4.0]undec-7-ene / 1,4-dioxane / 1 h / 20 - 110 °C

With tetraethylammonium bromide; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; methanol;

DOI:10.1016/j.tetlet.2015.09.123

upstream raw materials:

5-bromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one

phenylboronic acid

Downstream raw materials:

3-ethoxymethylene-5-phenyl-7-azaoxindole

3-[Ethoxymethylidene]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-2-one

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