5-Chloro-2-methyl-1H-pyrrolo[2,3-B]pyridine

Base Information

• Chemical Name: 5-Chloro-2-methyl-1H-pyrrolo[2,3-B]pyridine
• CAS No.: 145934-81-2
• Molecular Formula: C₈H₇ClN₂
• Molecular Weight: 166.61
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40601297
• Wikidata: Q82497843
• Mol file: 145934-81-2.mol

Synonyms:5-CHLORO-2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE;145934-81-2;1H-PYRROLO[2,3-B]PYRIDINE, 5-CHLORO-2-METHYL-;5-CHLORO-2-METHYL-7-AZAINDOLE;SCHEMBL2041171;AMY9744;DTXSID40601297;NSEANKJGGQKQEJ-UHFFFAOYSA-N;VFA93481;MFCD11040729;AKOS006280703;SB14371;AS-36269

Chemical Property of 5-Chloro-2-methyl-1H-pyrrolo[2,3-B]pyridine

Chemical Property:

• Vapor Pressure: 0.00196mmHg at 25°C
• Refractive Index: 1.675
• Boiling Point: 300.8 °C at 760 mmHg
• Flash Point: 164.1 °C
• PSA: 28.68000
• Density: 1.351 g/cm³
• LogP: 2.52470
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.0297759
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-Methyl-1h-Pyrrolo[2,3-B]Pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC(=CN=C2N1)Cl

Technology Process of 5-Chloro-2-methyl-1H-pyrrolo[2,3-B]pyridine

There total 3 articles about 5-Chloro-2-methyl-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: 83.0%

5-chloro-3-prop-1-ynyl-pyridin-2-ylamine (1312755-53-5) → 5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (145934-81-2)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 85 ℃; for 1h;

Reference yield:

5-chloro-2-pyridylamine (1072-98-6) → 5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (145934-81-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; potassium iodate / 100 °C

1.2: 1.5 h

2.1: triethylamine / copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 1 h / 0 - 20 °C

3.1: potassium tert-butylate / tert-butyl alcohol / 1 h / 85 °C

With potassium iodate; sulfuric acid; potassium tert-butylate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; tert-butyl alcohol;

Reference yield:

5-chloro-3-iodo-2-aminopyridine (211308-81-5) → 5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (145934-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 1 h / 0 - 20 °C

2: potassium tert-butylate / tert-butyl alcohol / 1 h / 85 °C

With potassium tert-butylate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; tert-butyl alcohol;

upstream raw materials:

5-chloro-2-pyridylamine

5-chloro-3-iodo-2-aminopyridine

5-chloro-3-prop-1-ynyl-pyridin-2-ylamine

Downstream raw materials:

5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylamine

5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

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