3-Acetyl-1,3-dihydro-2H-indol-2-one

Base Information

• Chemical Name: 3-Acetyl-1,3-dihydro-2H-indol-2-one
• CAS No.: 17266-70-5
• Molecular Formula: C10H9 N O2
• Molecular Weight: 175.187
• DSSTox Substance ID: DTXSID30439187
• Nikkaji Number: J2.691.308J
• ChEMBL ID: CHEMBL1213393
• Mol file: 17266-70-5.mol

Synonyms:3-acetyl-1,3-dihydroindol-2-one;17266-70-5;3-Acetyl-1,3-dihydro-2H-indol-2-one;3-ACETYLOXINDOLE;SCHEMBL6297845;CHEMBL1213393;DTXSID30439187;3-Acetyl-1H-indole-2(3H)-one;3-acetyl-2,3-dihydro-1H-indol-2-one

Chemical Property of 3-Acetyl-1,3-dihydro-2H-indol-2-one

Chemical Property:

• PSA: 49.66000
• LogP: 1.39640
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C2=CC=CC=C2NC1=O

Technology Process of 3-Acetyl-1,3-dihydro-2H-indol-2-one

There total 4 articles about 3-Acetyl-1,3-dihydro-2H-indol-2-one 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:

3-oxo-N-2-chlorophenylbutanamide (93-70-9) → 3-Acetylindol-2-one (17266-70-5)

Guidance literature:

With ammonia; potassium amide;

DOI:10.1021/ja01541a065

Reference yield:

2-oxoindole (59-48-3) + ethyl acetate (141-78-6) → 3-Acetylindol-2-one (17266-70-5)

Guidance literature:

With methanol; sodium methylate;

Reference yield:

N-acetyloxindole (21905-78-2) → 3-Acetylindol-2-one (17266-70-5)

Guidance literature:

With sodium amide; xylene;

upstream raw materials:

2-oxoindole

ethyl acetate

N-acetyloxindole

3-oxo-N-2-chlorophenylbutanamide

Downstream raw materials:

3-isopropyl-1,3-dihydroindol-2-one

3-methylindolin-2-one

3,3-dimethyloxindole

3-ethyloxindole