4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine

Base Information

• Chemical Name: 4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine
• CAS No.: 1196507-66-0
• Molecular Formula: C7H4F2N2
• Molecular Weight: 154.12
• DSSTox Substance ID: DTXSID80701225
• Wikidata: Q72464263
• Mol file: 1196507-66-0.mol

Synonyms:4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine;1196507-66-0;4,5-Difluoro-7-azaindole;SCHEMBL1467759;AMY7332;DTXSID80701225;IHVZRADTOCTZIA-UHFFFAOYSA-N;1H-Pyrrolo[2,3-b]pyridine,4,5-difluoro-;FT-0766795

Chemical Property of 4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine

Chemical Property:

• PKA: 12.44±0.40(Predicted)
• PSA: 28.68000
• Density: 1.49
• LogP: 1.84110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.03425446
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=NC=C(C(=C21)F)F

Technology Process of 4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine

There total 6 articles about 4,5-Difluoro-1H-pyrrolo[2,3-b]pyridine 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: 92.0%

4,5-difluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine (685513-89-7) → 4,5-difluoro-1H-pyrrolo[2,3-b]pyridine (1196507-66-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

4-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine (640735-24-6,934388-23-5) → 4,5-difluoro-1H-pyrrolo[2,3-b]pyridine (1196507-66-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran / 0.25 h / -78 °C / Inert atmosphere

1.2: 2 h / -78 °C

2.1: n-butyllithium; 2,2,6,6-tetramethyl-piperidine / tetrahydrofuran / 0.75 h / -78 - 0 °C / Inert atmosphere

2.2: 0.25 h / -78 °C

3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 - 20 °C / Inert atmosphere

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; tetrabutyl ammonium fluoride; In tetrahydrofuran;

Reference yield:

4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine (640735-25-7) → 4,5-difluoro-1H-pyrrolo[2,3-b]pyridine (1196507-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium; 2,2,6,6-tetramethyl-piperidine / tetrahydrofuran / 0.75 h / -78 - 0 °C / Inert atmosphere

1.2: 0.25 h / -78 °C

2.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 0 - 20 °C / Inert atmosphere

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; tetrabutyl ammonium fluoride; In tetrahydrofuran;

upstream raw materials:

4,5-difluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine

7-Azaindole

1H-Pyrrolo[2,3-b]pyridine-7-oxide

4-bromo-7-azaindole

Downstream raw materials:

4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-amine

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