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

Base Information

• Chemical Name: 3-methyl-1H-pyrrolo[3,2-b]pyridine
• CAS No.: 25796-94-5
• Molecular Formula: C₈H₈N₂
• Molecular Weight: 132.165
• Hs Code.: 2933990090
• European Community (EC) Number: 869-096-7
• DSSTox Substance ID: DTXSID20948697
• Wikidata: Q82926519
• Mol file: 25796-94-5.mol

Synonyms:3-methyl-1H-pyrrolo[3,2-b]pyridine;25796-94-5;3-Methyl-4-azaindole;3-Methyl-1H-pyrrolo(3,2-b)pyridine;1H-Pyrrolo(3,2-b)pyridine, 3-methyl-;SCHEMBL369216;DTXSID20948697;MFCD11848727;AKOS006353414;SB13259;AS-47402;CS-0341768;FT-0659174;F13594;EN300-1694188;A818033;Z1203733882

Chemical Property of 3-methyl-1H-pyrrolo[3,2-b]pyridine

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 227-229 °C
• Boiling Point: 271.948°C at 760 mmHg
• PKA: 14.96±0.40(Predicted)
• Flash Point: 119.833°C
• PSA: 28.68000
• Density: 1.187g/cm³
• LogP: 1.87130
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

98.5% ^*data from raw suppliers

3-methyl-1H-pyrrolo[3,2-b]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC2=C1N=CC=C2

Technology Process of 3-methyl-1H-pyrrolo[3,2-b]pyridine

There total 2 articles about 3-methyl-1H-pyrrolo[3,2-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:

2-chloro-3-aminopyridine (6298-19-7) + propionaldehyde (123-38-6) → 3-methyl-1H-pyrrolo<3,2-b>pyridine (25796-94-5)

Guidance literature:

With potassium tert-butylate; Yield given. Multistep reaction; 1.) Et₂O, NH₃ liquid, -33 deg C, 2.) Et₂O, NH₃ liquid, irrad., -33 deg C, 100 min.;

Reference yield:

→ 3-methyl-1H-pyrrolo<3,2-b>pyridine (25796-94-5)

Guidance literature:

Propionaldehyd-3-pyridylhydrazon, Δ;

DOI:10.1039/j39700000303

upstream raw materials:

2-chloro-3-aminopyridine

propionaldehyde

Refernces