1-Acetyl-7-azaindole

Base Information

• Chemical Name: 1-Acetyl-7-azaindole
• CAS No.: 53277-42-2
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80484344
• Nikkaji Number: J2.272.648J
• Wikidata: Q82322643
• Mol file: 53277-42-2.mol

Synonyms:1-acetyl-7-azaindole;53277-42-2;1-(1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone;1-pyrrolo[2,3-b]pyridin-1-ylethanone;1H-Pyrrolo[2,3-b]pyridine, 1-acetyl- (9CI);1-(1H-Pyrrolo[2,3-b]pyridin-1-yl)ethan-1-one;1-Acetyl-1H-pyrrolo[2,3-b]pyridine;SCHEMBL163330;DTXSID80484344;MFCD09743452;AKOS006331288;1H-Pyrrolo[2,3-b]pyridine, 1-acetyl-;F72484

Chemical Property of 1-Acetyl-7-azaindole

Chemical Property:

• Melting Point: 63-65 °C
• Boiling Point: 275.0±13.0 °C(Predicted)
• PKA: 2.76±0.30(Predicted)
• PSA: 34.89000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.69640
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

95% ^*data from raw suppliers

1-ACETYL-1H-PYRROLO[2,3-B]PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C=CC2=C1N=CC=C2

Technology Process of 1-Acetyl-7-azaindole

There total 5 articles about 1-Acetyl-7-azaindole 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: 90.0%

7-Azaindole (271-63-6) + acetic anhydride (108-24-7) → 1-(1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone (53277-42-2)

Guidance literature:

In acetic acid; for 13h; Product distribution; Heating; other time and temperature;

Reference yield: 78.0%

7-Azaindole (271-63-6) + vinyl acetate (108-05-4,9003-20-7) → 1-(1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone (53277-42-2)

Guidance literature:

With sodium carbonate; In acetonitrile; at 120 ℃; for 24h; regioselective reaction; Schlenk technique;

DOI:10.1055/s-0037-1609937

Reference yield: 11.0%

7-Azaindole (271-63-6) + N,N-dimethyl acetamide (127-19-5,116057-81-9) → 1-(1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone (53277-42-2)

Guidance literature:

With trichlorophosphate; at 90 ℃; for 2h; Product distribution;

upstream raw materials:

7-Azaindole

N,N-dimethyl acetamide

acetic anhydride

vinyl acetate

Downstream raw materials:

7-acetyl-2,2-diphenyl-2,2a,7,7a-tetrahydro-oxeto[3',2':4,5]pyrrolo[2,3-b]pyridine

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

7-Azaindole

1-acetyl-2,3-dihydropyrrolo<2,3-b>pyridine