1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

Base Information

• Chemical Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
• CAS No.: 106516-54-5
• Molecular Formula: C24H24ClFN4O
• Molecular Weight: 438.92
• European Community (EC) Number: 923-022-0
• ChEMBL ID: CHEMBL12186
• DSSTox Substance ID: DTXSID401111571
• Nikkaji Number: J468.628D
• Mol file: 106516-54-5.mol

Synonyms:106516-54-5;CHEMBL12186;1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one;5-CHLORO-3-[1-((IMIDAZOLIDIN-2-ONE-1-YL)-ETHYL)-1,2,5,6-TETRAHYDROPYRIDIN-4-YL]-1-(4-FLUOROPHENYL)-I;PFOLMILRZUSKJO-UHFFFAOYSA-N;5-CHLORO-3-[1-((IMIDAZOLIDIN-2-ONE-1-YL)-ETHYL)-1,2,5,6-TETRAHYDROPYRIDIN-4-YL]-1-(4-FLUOROPHENYL)-INDOLE;SCHEMBL6582908;DTXSID401111571;BDBM50002002;1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl}-ethyl)-imidazolidin-2-one;1-[2-[4-[5-chloro-1-(4-flourophenyl)-1H-indol-3-yl]-1,2,3,6-tetrahydro-1-pyridyl]ethyl]-2imidazolidinone;1-[2-[4-[5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-3,6-dihydro-1(2H)-pyridinyl]ethyl]-2-imidazolidinone

Chemical Property of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

Chemical Property:

• Boiling Point: 609.0±55.0 °C(Predicted)
• PKA: 14.46±0.20(Predicted)
• PSA: 40.51000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 4.74190
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 438.1622673
• Heavy Atom Count: 31
• Complexity: 683

Purity/Quality:

97% ^*data from raw suppliers

5-CHLORO-3-[1-((IMIDAZOLIDIN-2-ONE-1-YL)-ETHYL)-1,2,5,6-TETRAHYDROPYRIDIN-4-YL]-1-(4-FLUOROPHENYL)-INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC=C1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O

Technology Process of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

There total 12 articles about 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-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: 74.3%

5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (106516-07-8) → 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1,2,3,6-tetrahydro-1-pyridyl]ethyl]-2-imidazolidinone (106516-54-5)

Guidance literature:

With 1-(2-chloroethyl)imidazolidin-2-one; sodium carbonate; In 4-methyl-2-pentanone; at 90 - 95 ℃;

Reference yield: 74.3%

1-(2-chloroethyl)imidazolon + 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (106516-07-8) → 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1,2,3,6-tetrahydro-1-pyridyl]ethyl]-2-imidazolidinone (106516-54-5)

Guidance literature:

With sodium carbonate; In 4-methyl-2-pentanone; at 90 - 95 ℃; Industry scale;

Reference yield: 73.9%

1-(2-chloroethyl)imidazolidin-2-one (2387-20-4) + 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride → 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1,2,3,6-tetrahydro-1-pyridyl]ethyl]-2-imidazolidinone (106516-54-5)

Guidance literature:

With potassium carbonate; potassium iodide; In 4-methyl-2-pentanone; for 28h; Inert atmosphere; Reflux;

DOI:10.3762/bjoc.7.5

upstream raw materials:

1-(2-chloroethyl)imidazolidin-2-one

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

4-piperidone hydrochloride

1-(4-fluorophenyl)-5-chloroindole

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