6-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide

Base Information

• Chemical Name: 6-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide
• CAS No.: 178268-96-7
• Molecular Formula: C₈H₈N₂O
• Molecular Weight: 148.164
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40570510
• Wikidata: Q82457990
• Mol file: 178268-96-7.mol

Synonyms:178268-96-7;6-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide;7-hydroxy-6-methylpyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine,6-methyl-,7-oxide(9CI);6-Methyl-7H-pyrrolo[2,3-b]pyridin-7-ol;SCHEMBL2809257;DTXSID40570510;OUBTWCKHJZOCCK-UHFFFAOYSA-N;AKOS006316642;6-methyl-1H-pyrrolo[2,3-b]pyridin-7-oxide

Chemical Property of 6-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.643
• Boiling Point: 345.602°C at 760 mmHg
• Flash Point: 162.815°C
• PSA: 41.25000
• Density: 1.276g/cm³
• LogP: 1.90480
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

95% ^*data from raw suppliers

6-Methyl-7-oxide-7-azaindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C2C=CN=C2N1O

Technology Process of 6-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide

There total 3 articles about 6-Methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide 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: 48.0%

6-methyl-1H-pyrrolo<2,3-b>pyridine (824-51-1) → 6-methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide (178268-96-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In ethyl acetate; at 0 - 20 ℃;

Reference yield:

2-amino-3,6-dimethylpyridine (823-61-0) → 6-methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide (178268-96-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / PCl₅ / CHCl₃ / 3 h / Heating

2: NaH, N-methylaniline / Heating

3: 14 percent / m-chloroperoxybenzoic acid / CH₂Cl₂ / 20 h / Ambient temperature

With phosphorus pentachloride; sodium hydride; 3-chloro-benzenecarboperoxoic acid; N-methylaniline; In dichloromethane; chloroform;

DOI:10.1002/jhet.5570330215

Reference yield:

N'-(3,6-Dimethyl-pyridin-2-yl)-N-methyl-N-phenyl-formamidine (178268-95-6) → 6-methyl-1H-pyrrolo[2,3-b]pyridine 7-oxide (178268-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH, N-methylaniline / Heating

2: 14 percent / m-chloroperoxybenzoic acid / CH₂Cl₂ / 20 h / Ambient temperature

With sodium hydride; 3-chloro-benzenecarboperoxoic acid; N-methylaniline; In dichloromethane;

DOI:10.1002/jhet.5570330215

upstream raw materials:

6-methyl-1H-pyrrolo<2,3-b>pyridine

2-amino-3,6-dimethylpyridine

N'-(3,6-Dimethyl-pyridin-2-yl)-N-methyl-N-phenyl-formamidine

Downstream raw materials:

1-Benzenesulfonyl-6-methyl-4-nitro-1H-pyrrolo[2,3-b]pyridine

6-Methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine

1-Benzenesulfonyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-4-ylamine

(1-Benzenesulfonyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-benzyl-amine