1-[4-(5-Nitro-1H-indol-3-YL)-1-piperidinyl]ethanone

Base Information

Chemical Name:1-[4-(5-Nitro-1H-indol-3-YL)-1-piperidinyl]ethanone
CAS No.:111608-65-2
Molecular Formula:C15H17N3O3
Molecular Weight:287.31
Hs Code.:
DSSTox Substance ID:DTXSID80556333
Wikidata:Q72494879
Mol file:111608-65-2.mol

Synonyms:111608-65-2;1-[4-(5-NITRO-1H-INDOL-3-YL)-1-PIPERIDINYL]ETHANONE;1-[4-(5-nitro-1H-indol-3-yl)piperidin-1-yl]ethanone;SCHEMBL9836165;DTXSID80556333;XWAIZWOYWKCWCQ-UHFFFAOYSA-N;3-(1-acetyl-4-piperidyl)-5-nitroindole;1-[4-(5-Nitro-1H-indol-3-yl)piperidin-1-yl]ethan-1-one

Suppliers and Price of 1-[4-(5-Nitro-1H-indol-3-YL)-1-piperidinyl]ethanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1-[4-(5-Nitro-1H-indol-3-YL)-1-piperidinyl]ethanone

Chemical Property:

PSA：81.92000
Density:1.322
LogP:3.26310
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:287.12699141
Heavy Atom Count:21
Complexity:415

Purity/Quality:: 99.3% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]

Technology Process of 1-[4-(5-Nitro-1H-indol-3-YL)-1-piperidinyl]ethanone

There total 4 articles about 1-[4-(5-Nitro-1H-indol-3-YL)-1-piperidinyl]ethanone 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: 47.0%

: 111608-64-1
1-<4-(2,3-dihydro-5-nitro-1H-indol-3-yl)piperidino>ethanone

: 111608-65-2
1-<4-(5-nitro-1H-indol-3-yl)piperidino>ethanone

Guidance literature:: With manganese(IV) oxide; In nitrobenzene; at 150 ℃; for 1h;
DOI:10.1248/cpb.41.1589

Reference yield:

: 30030-83-2
1-<4-(1H-indol-3-yl)piperidino>ethanone

: 111608-65-2
1-<4-(5-nitro-1H-indol-3-yl)piperidino>ethanone

Guidance literature:: Multi-step reaction with 4 steps

1: 84.6 percent / NaBH₃CN / acetic acid / 4 h / Ambient temperature

2: 66.4 percent / 3 h / Heating

3: 39.6 percent / KNO₃, conc. H₂SO₄ / 8 h / 10 - 20 °C

4: 47 percent / MnO₂ / nitrobenzene / 1 h / 150 °C

With manganese(IV) oxide; sulfuric acid; sodium cyanoborohydride; potassium nitrate; In acetic acid; nitrobenzene;
DOI:10.1248/cpb.41.1589

Reference yield:

: 111608-62-9
1-<4-(2,3-dihydro-1H-indol-3-yl)piperidino>ethanone

: 111608-65-2
1-<4-(5-nitro-1H-indol-3-yl)piperidino>ethanone

Guidance literature:: Multi-step reaction with 3 steps

1: 66.4 percent / 3 h / Heating

2: 39.6 percent / KNO₃, conc. H₂SO₄ / 8 h / 10 - 20 °C

3: 47 percent / MnO₂ / nitrobenzene / 1 h / 150 °C

With manganese(IV) oxide; sulfuric acid; potassium nitrate; In nitrobenzene;
DOI:10.1248/cpb.41.1589