5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole

Base Information

• Chemical Name: 5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
• CAS No.: 138900-27-3
• Molecular Formula: C19H18ClFN2
• Molecular Weight: 328.817
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20432041
• Nikkaji Number: J468.631D
• Wikidata: Q72451271
• Pharos Ligand ID: 66HKF59JFBM3
• ChEMBL ID: CHEMBL273235
• Mol file: 138900-27-3.mol

Synonyms:138900-27-3;5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole;5-Chloro-1-(4-fluoro-phenyl)-3-piperidin-4-yl-1H-indole;5-Chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindole;CHEMBL273235;SCHEMBL2739092;DTXSID20432041;YCXCLZSLZGBCTA-UHFFFAOYSA-N;BDBM50002009;AKOS016007435;Lu-25-073;5-chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)indole;5-chloro-1 -(4-fluorophenyl)-3-(4-piperidyl)-1H-indole;5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)-1H-indole

Chemical Property of 5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole

Chemical Property:

• Boiling Point: 473℃
• Flash Point: 240℃
• PSA: 16.96000
• Density: 1.30
• LogP: 5.21880
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 328.1142544
• Heavy Atom Count: 23
• Complexity: 393

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F

Technology Process of 5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole

There total 6 articles about 5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole 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:

5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (106516-07-8) → 5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indole (138900-27-3)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; In ethanol; for 16h; under 1900 - 2280 Torr;

DOI:10.1021/jm00084a014

Reference yield:

4-piperidone hydrochloride (41979-39-9) → 5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indole (138900-27-3)

Guidance literature:

Multi-step reaction with 2 steps

1: TFA, AcOH / 0.5 h / Heating

2: H₂, AcOH / PtO₂ / ethanol / 16 h / 1900 - 2280 Torr

With hydrogen; acetic acid; trifluoroacetic acid; platinum(IV) oxide; In ethanol;

DOI:10.1021/jm00084a014

Reference yield:

1-(4-fluorophenyl)-5-chloroindole (138900-22-8) → 5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1H-indole (138900-27-3)

Guidance literature:

Multi-step reaction with 2 steps

1: TFA, AcOH / 0.5 h / Heating

2: H₂, AcOH / PtO₂ / ethanol / 16 h / 1900 - 2280 Torr

With hydrogen; acetic acid; trifluoroacetic acid; platinum(IV) oxide; In ethanol;

DOI:10.1021/jm00084a014

upstream raw materials:

5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

4-piperidone hydrochloride

1-(4-fluorophenyl)-5-chloroindole

5-chloro-2,3-dihydro-1-(4-fluorophenyl)-1H-indol-3-one

Downstream raw materials:

1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one

1-(4-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-butyl)-imidazolidin-2-one

1-(5-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-pentyl)-imidazolidin-2-one

1-(6-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-hexyl)-imidazolidin-2-one

Refernces