1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-

Base Information

Chemical Name:1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-
CAS No.:176204-36-7
Molecular Formula:C22H18FN3O
Molecular Weight:359.39600
Hs Code.:
DSSTox Substance ID:DTXSID00432403
Nikkaji Number:J1.080.781F
Wikidata:Q82246467
ChEMBL ID:CHEMBL160259

Synonyms:176204-36-7;1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-;CHEMBL160259;SCHEMBL8416372;DTXSID00432403;VQDZDAUWYCUULB-UHFFFAOYSA-N;N-(4-Pyridinyl)-1-(4-fluorobenzyl)-1H-indole-3-acetamide;N-(4-pyridyl)-[1-(4-fluorobenzyl)indole-3-yl]acetamide

Suppliers and Price of 1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-

Chemical Property:

PSA：50.15000
LogP:3.82680
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:359.14339037
Heavy Atom Count:27
Complexity:488

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)CC(=O)NC4=CC=NC=C4

Technology Process of 1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl-

There total 4 articles about 1H-Indole-3-acetamide, 1-[(4-fluorophenyl)methyl]-N-4-pyridinyl- 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: 71.0%

: 504-24-5
4-aminopyridine

: 176204-51-6
2-(1-(4-fluorobenzyl)-1H-indol-3-yl)acetic acid

: 176204-36-7
N-(4-pyridyl)-[1-(4-fluorobenzyl)indole-3-yl]acetamide

Guidance literature:: With 2-chloro-1-methylpyrimidinium iodide; triethylamine; In dichloromethane; for 2h; Heating;
DOI:10.1021/jm981079+

Reference yield:

: 221188-35-8
[1-(4-fluoro-benzyl)-1H-indol-3-yl]-acetic acid ethyl ester

: 176204-36-7
N-(4-pyridyl)-[1-(4-fluorobenzyl)indole-3-yl]acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent / aq. NaOH / ethanol / Heating

2: 65 percent / 1,3-dicyclohexylcarbodiimide / tetrahydrofuran / 20 °C

With sodium hydroxide; dicyclohexyl-carbodiimide; In tetrahydrofuran; ethanol;

Reference yield:

: 87-51-4
indole-3-acetic acid

: 176204-36-7
N-(4-pyridyl)-[1-(4-fluorobenzyl)indole-3-yl]acetamide

Guidance literature:: Multi-step reaction with 4 steps

1: 1 M HCl / 1.5 h / Heating

2: 1.) NaH / 1.) DMSO, RT, 0.5 h, 2.) DMSO, RT, 12 h

3: 6 M NaOH / ethanol / 1 h / Heating

4: 71 percent / Et₃N, 2-chloro-1-methylpyrimidinium iodide / CH₂Cl₂ / 2 h / Heating

With hydrogenchloride; sodium hydroxide; 2-chloro-1-methylpyrimidinium iodide; sodium hydride; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm981079+