1-(5-nitro-1H-indol-3-yl)ethan-1-one

Base Information

• Chemical Name: 1-(5-nitro-1H-indol-3-yl)ethan-1-one
• CAS No.: 4771-10-2
• Molecular Formula: C10H8 N2 O3
• Molecular Weight: 204.1821
• NSC Number: 60432
• DSSTox Substance ID: DTXSID10197258
• Nikkaji Number: J1.041.395H
• Wikidata: Q83070180
• Mol file: 4771-10-2.mol

Synonyms:4771-10-2;1-(5-nitro-1H-indol-3-yl)ethan-1-one;1-(5-nitro-1H-indol-3-yl)ethanone;3-Acetyl-5-nitroindole;INDOLE, 3-ACETYL-5-NITRO-;3-Acetyl-5-nitro-1H-indole;NSC 60432;BRN 1533870;NSC60432;SCHEMBL5213756;DTXSID10197258;MKWCZAGQLZTPIE-UHFFFAOYSA-N;NSC-60432;AKOS008126044;LS-82237;CS-0251081;EN300-53495;5-21-08-00301 (Beilstein Handbook Reference);Z382706814

Chemical Property of 1-(5-nitro-1H-indol-3-yl)ethan-1-one

Chemical Property:

• Vapor Pressure: 1.44E-07mmHg at 25°C
• Boiling Point: 429.1°C at 760 mmHg
• Flash Point: 213.3°C
• Density: 1.405g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.05349212
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(5-nitro-1H-indol-3-yl)ethan-1-one

There total 10 articles about 1-(5-nitro-1H-indol-3-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: 99.0%

5-nitroindole (6146-52-7) → 1-(5-nitro-1H-indol-3-yl)ethan-1-one (4771-10-2)

Guidance literature:

With acetyl chloride; tin(IV) chloride; In dichloromethane; at 0 ℃; for 6h;

Reference yield: 98.0%

3-acetyl-5-nitro-1-benzosulfonylindole → 1-(5-nitro-1H-indol-3-yl)ethan-1-one (4771-10-2)

Guidance literature:

With sodium hydroxide; In methanol; for 0.25h; Ambient temperature;

DOI:10.1016/S0040-4039(98)02636-7

Reference yield: 95.0%

3-(5-nitro-1H-indol-3-yl)-3-oxopropanenitrile (1363843-81-5) → 1-(5-nitro-1H-indol-3-yl)ethan-1-one (4771-10-2)

Guidance literature:

With sodium hydroxide; In water; for 3.5h; Reflux;

DOI:10.2174/157017811799304395

upstream raw materials:

3-acetylindole

1,3-diacetyl-1H-indole

3-acetyl-1-benzenesulfonylindole

5-nitroindole

Downstream raw materials:

C₁₇H₁₄N₂O₃

C₁₆H₁₄N₂O₅S

(5-nitro-indol-3-yl)glyoxylyl acid