4-Nitrooxidole

Base Information

• Chemical Name: 4-Nitrooxidole
• CAS No.: 61394-51-2
• Molecular Formula: C8H6N2O3
• Molecular Weight: 178.14
• Hs Code.: 2933790090
• Mol file: 61394-51-2.mol

Synonyms:1,3-Dihydro-4-nitro-2H-indol-2-one;

Chemical Property of 4-Nitrooxidole

Chemical Property:

• Boiling Point: 391.7±42.0 °C(Predicted)
• PKA: 12.86±0.20(Predicted)
• PSA: 74.92000
• Density: 1.449
• LogP: 1.75060

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-?Nitroindolin-?2-?one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-?Nitroindolin-?2-?one is synthesized via hypervalent-iodine oxidation. and is used in the preparation of pharmaceuticals.

Technology Process of 4-Nitrooxidole

There total 3 articles about 4-Nitrooxidole 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: 79.0%

4-nitro-1H-indoIe (4769-97-5) → 4-nitro-1,3-dihydroindol-2-one (61394-51-2)

Guidance literature:

With 1-fluoro-1λ3-benzo[d][1,2]iodaoxol-3(1H)-one; In 1,4-dioxane; water; at 140 ℃; for 5h;

DOI:10.1002/ejoc.201701807

Reference yield:

3-chloro-4-nitro-1H-indole (208511-07-3) → 4-nitro-1,3-dihydroindol-2-one (61394-51-2)

Guidance literature:

With phosphoric acid; In methanol; 2-methoxy-ethanol; water;

Reference yield:

methyl (2,6-dinitrophenyl)acetate (86162-90-5) → 4-nitro-1,3-dihydroindol-2-one (61394-51-2)

Guidance literature:

With iron; acetic acid; In water; at 40 - 60 ℃; for 4h;

upstream raw materials:

methyl (2,6-dinitrophenyl)acetate

4-nitro-1H-indoIe

3-chloro-4-nitro-1H-indole

Downstream raw materials:

4-aminoindolin-2-one

Refernces

• 1、 -. "ARYL HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS". Page/Page column 52. . Retrieved 2008/12/08.
• 2、 -. "SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS". Page/Page column 91. . Retrieved 2008/06/13.