3-Isonipecotylindole

Base Information

Chemical Name:3-Isonipecotylindole
CAS No.:5275-02-5
Molecular Formula:C14H16N2O
Molecular Weight:228.32
Hs Code.:2933990090
DSSTox Substance ID:DTXSID70200732
Nikkaji Number:J62.517E
Wikidata:Q83073896
ChEMBL ID:CHEMBL40480
Mol file:5275-02-5.mol

Synonyms:3-Isonipecotylindole;5275-02-5;(1H-Indol-3-yl)(piperidin-4-yl)methanone;KETONE, 3-INDOLYL 4-PIPERIDYL;BRN 1576326;1H-indol-3-yl(piperidin-4-yl)methanone;CHEMBL40480;DTXSID70200732;MFCD01716468;AKOS009264761;LS-87258;FT-0753424;5-24-03-00564 (Beilstein Handbook Reference)

Suppliers and Price of 3-Isonipecotylindole

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

Labseeker
3-[(Piperidine-4-YL)carbonyl]-1H-Indole 95%
1g
$ 990.00

American Custom Chemicals Corporation
3-[(PIPERIDIN-4-YL)CARBONYL]-1H-INDOLE 95.00%
5MG
$ 497.07

Total 8 raw suppliers

Chemical Property of 3-Isonipecotylindole

Chemical Property:

Vapor Pressure:9.15E-08mmHg at 25°C
Refractive Index:1.6000 (estimate)
Boiling Point:434.9°Cat760mmHg
Flash Point:216.8°C
PSA：44.89000
Density:1.189g/cm³
LogP:2.67900
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:228.126263138
Heavy Atom Count:17
Complexity:286

Purity/Quality:

99% ^*data from raw suppliers

3-[(Piperidine-4-YL)carbonyl]-1H-Indole 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCCC1C(=O)C2=CNC3=CC=CC=C32

Technology Process of 3-Isonipecotylindole

There total 3 articles about 3-Isonipecotylindole 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%

: 126501-72-2
(1H-indol-3-yl)<1-(trifluoroacetyl)-4-piperidinyl>methanone

: 5275-02-5
(Indolyl-(3))-(piperidyl-(4))-keton

Guidance literature:: With potassium carbonate; In methanol; for 2h; Ambient temperature;
DOI:10.1021/jm00168a011

Reference yield:

: 120-72-9
indole

: 5275-02-5
(Indolyl-(3))-(piperidyl-(4))-keton

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) a) C₂H₅Br, Mg, 2.) Et₃N / 1.) a) Et₂O, from RT to reflux, 30 min, b) reflux, 1 h, 2.) THF, reflux, overnight

2: 99 percent / aq. K₂CO₃ / methanol / 2 h / Ambient temperature

With ethyl bromide; potassium carbonate; magnesium; triethylamine; In methanol;
DOI:10.1021/jm00168a011