1-(5,7-DINITRO-2,3-DIHYDRO-1H-INDOL-1-YL)ETHAN-1-ONE

Base Information

• Chemical Name: 1-(5,7-DINITRO-2,3-DIHYDRO-1H-INDOL-1-YL)ETHAN-1-ONE
• CAS No.: 62796-78-5
• Molecular Formula: C10H9N3O5
• Molecular Weight: 251.199
• Hs Code.: 2933998090
• Mol file: 62796-78-5.mol

Synonyms:1-Acetyl-5.7-dinitro-indolin;N-acetyl-5,7-dinitroindoline;5,7-dinitro-1-acetylindoline;1H-Indole,1-acetyl-2,3-dihydro-5,7-dinitro;5,7-Dinitroindoline acetamide;1-acetyl-5,7-dinitro-2,3-dihydro-indole;1-Acetyl-5,7-dinitroindoline;1-acetyl-2,3-dihydro-5,7-dinitroindole;

Chemical Property of 1-(5,7-DINITRO-2,3-DIHYDRO-1H-INDOL-1-YL)ETHAN-1-ONE

Chemical Property:

• Melting Point: 217-218 °C
• Boiling Point: 512.3±50.0 °C(Predicted)
• PKA: -6.43±0.20(Predicted)
• PSA: 111.95000
• Density: 1.526±0.06 g/cm3(Predicted)
• LogP: 2.52340

Purity/Quality:

99% ^*data from raw suppliers

1-Acetyl-5,7-dinitroindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(5,7-DINITRO-2,3-DIHYDRO-1H-INDOL-1-YL)ETHAN-1-ONE

There total 5 articles about 1-(5,7-DINITRO-2,3-DIHYDRO-1H-INDOL-1-YL)ETHAN-1-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: 89.0%

5,7-dinitroindoline (67932-53-0) + acetyl chloride (75-36-5) → 1-acetyl-2,3-dihydro-5,7-dinitroindole (62796-78-5)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; Heating;

DOI:10.1055/s-2001-18760

Reference yield: 87.0%

1-Acetyl-2,3-dihydro-1H-indole (16078-30-1) → 1-acetyl-2,3-dihydro-5,7-dinitroindole (62796-78-5)

Guidance literature:

With sodium nitrate; trifluoroacetic acid; for 20h; Ambient temperature;

DOI:10.1080/00304949609355918

Reference yield:

1-indoline (496-15-1) → 1-acetyl-2,3-dihydro-5,7-dinitroindole (62796-78-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / acetic acid / 3 h / 90 °C

2: 58 percent / NaNO₃ / trifluoroacetic acid / 20 h / 20 °C

With sodium nitrate; In acetic acid; trifluoroacetic acid;

DOI:10.1021/jo026581n

upstream raw materials:

1-Acetyl-2,3-dihydro-1H-indole

5,7-dinitroindoline

acetyl chloride

1-indoline

Downstream raw materials:

1-piperidin-1-yl-ethanone

4-acetylmorpholine

1-Acetyl-2,3-dihydro-1H-indole

N-[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]acetamide