1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-1H-indole

Base Information

Chemical Name:1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-1H-indole
CAS No.:220141-63-9
Molecular Formula:C₂₅H₂₃FN₂O₂S
Molecular Weight:434.534
Hs Code.:
DSSTox Substance ID:DTXSID901117617
Nikkaji Number:J1.021.286C

Synonyms:DTXSID901117617;1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-1H-indole;2-[3-Acetyl-2-fluoro-1,4-dihydro-1-[2-(phenylthio)ethyl]-4-pyridinyl]-1-(1H-indol-1-yl)ethanone;220141-63-9

Suppliers and Price of 1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-1H-indole

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 0 raw suppliers

Chemical Property of 1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-1H-indole

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:434.14642732
Heavy Atom Count:31
Complexity:731

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=C(N(C=CC1CC(=O)N2C=CC3=CC=CC=C32)CCSC4=CC=CC=C4)F

Technology Process of 1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-1H-indole

There total 3 articles about 1-[1-[2-(Phenylthio)ethyl]-2-fluoro-3-acetyl-1,4-dihydropyridine-4-ylacetyl]-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: 25.0%

: 576-15-8
N-acetylindole

: 3-acetyl-2-fluoro-1-[(2-phenylsulfanyl)ethyl] trifluoromethanesulfonate

: 220141-63-9
3-acetyl-2-fluoro-4-[2-(1-indolyl)-2-oxoethyl]-1-[2-(phenylsulfanyl)ethyl]-1,4-dihydropyridine

Guidance literature:: With lithium diisopropyl amide; In tetrahydrofuran; at -30 ℃; for 1.5h;
DOI:10.1039/a807868h

Reference yield:

: 699-12-7
2-(phenylthio)ethanol

: 220141-63-9
3-acetyl-2-fluoro-4-[2-(1-indolyl)-2-oxoethyl]-1-[2-(phenylsulfanyl)ethyl]-1,4-dihydropyridine

Guidance literature:: Multi-step reaction with 3 steps

1.1: Et₃N / CH₂Cl₂ / 2 h / 0 °C

2.1: 0.35 g / 12 h / 20 °C

3.1: LDA / tetrahydrofuran / 0.5 h / -78 °C

3.2: 23 percent / tetrahydrofuran / 1.5 h / -30 °C

With triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane; 1.1: Substitution / 2.1: Addition / 3.1: deprotonation / 3.2: Addition;
DOI:10.1021/jo9911894

Reference yield:

: 2-(phenylsulfanyl)ethyl trifluoromethanesulfonate

: 220141-63-9
3-acetyl-2-fluoro-4-[2-(1-indolyl)-2-oxoethyl]-1-[2-(phenylsulfanyl)ethyl]-1,4-dihydropyridine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 0.35 g / 12 h / 20 °C

2.1: LDA / tetrahydrofuran / 0.5 h / -78 °C

2.2: 23 percent / tetrahydrofuran / 1.5 h / -30 °C

With lithium diisopropyl amide; In tetrahydrofuran; 1.1: Addition / 2.1: deprotonation / 2.2: Addition;
DOI:10.1021/jo9911894