[2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone

Base Information

Chemical Name:[2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone
CAS No.:76049-63-3
Molecular Formula:C16H11ClFNO
Molecular Weight:287.721
Hs Code.:
DSSTox Substance ID:DTXSID90513674
Wikidata:Q82373597

Synonyms:76049-63-3;SCHEMBL10995768;DTXSID90513674;QAWNFEZSVLJZKY-UHFFFAOYSA-N;[2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone;3-Amino-1-[4-chloro-2-(2-fluorobenzoyl)phenyl]propyne

Suppliers and Price of [2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone

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
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Total 0 raw suppliers

Chemical Property of [2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone

Chemical Property:

PSA：43.09000
LogP:3.72060
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:287.0513198
Heavy Atom Count:20
Complexity:413

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)C#CCN)F

Technology Process of [2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone

There total 4 articles about [2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](2-fluorophenyl)methanone 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: 78.0%

: 76049-53-1
1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-3-phthalimidopropyne

: 76049-63-3
3-Amino-1-[4-chloro-2-(2-fluorobenzoyl)phenyl]propyne

Guidance literature:: With methylamine; In ethanol; for 2h; Ambient temperature;
DOI:10.1021/jo00133a040

Reference yield:

: 76049-53-1
1-[4-chloro-2-(2-fluorobenzoyl)phenyl]-3-phthalimidopropyne

: 74-89-5
methylamine

: 76049-63-3
3-Amino-1-[4-chloro-2-(2-fluorobenzoyl)phenyl]propyne

Guidance literature:: In ethanol; water;

Reference yield:

: 76049-49-5
(5-chloro-2-iodophenyl)(2-fluorophenyl)methanone

: 76049-63-3
3-Amino-1-[4-chloro-2-(2-fluorobenzoyl)phenyl]propyne

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / triphenylphosphine, palladium chloride, cuprous iodide, diethylamine / CH₂Cl₂ / 20 h / Ambient temperature

2: 78 percent / 40percent aq. methylamine / aq. ethanol / 2 h / Ambient temperature

With copper(l) iodide; diethylamine; triphenylphosphine; methylamine; palladium dichloride; In ethanol; dichloromethane;
DOI:10.1021/jo00133a040