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

Base Information

Chemical Name:[2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](phenyl)methanone
CAS No.:76049-61-1
Molecular Formula:C16H12ClNO
Molecular Weight:269.73
Hs Code.:
DSSTox Substance ID:DTXSID30513673
Wikidata:Q82373596

Synonyms:76049-61-1;SCHEMBL11000365;DTXSID30513673;YDUKXANHBVTTJW-UHFFFAOYSA-N;[2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](phenyl)methanone;3-amino-1-[4-chloro-2-benzoylphenyl]propyne

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

Supply Marketing:

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

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

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:269.0607417
Heavy Atom Count:19
Complexity:375

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

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

There total 5 articles about [2-(3-Aminoprop-1-yn-1-yl)-5-chlorophenyl](phenyl)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: 97.0%

: 76049-52-0
1-[4-chloro-2-benzoylphenyl]-3-phthalimidopropyne

: 76049-61-1
3-amino-1-[4-chloro-2-benzoylphenyl]propyne

Guidance literature:: With methylamine;
DOI:10.1016/j.bmcl.2016.02.016

Reference yield:

: 76049-48-4
5-chloro-2-iodobenzophenone

: 76049-61-1
3-amino-1-[4-chloro-2-benzoylphenyl]propyne

Guidance literature:: Multi-step reaction with 2 steps

1: 46 percent / triphenylphosphine, palladium chloride, cuprous iodide, diethylamine / CH₂Cl₂ / 20 h / Ambient temperature

2: 80 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

Reference yield:

: 719-59-5
5-chloro-2-aminobenzophenone

: 76049-61-1
3-amino-1-[4-chloro-2-benzoylphenyl]propyne

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) sodium nitrite, conc. sulfuric acid, 2.) aq. potassium iodide / 1.) 1 h, 2.) room temp., overnight

2: 46 percent / triphenylphosphine, palladium chloride, cuprous iodide, diethylamine / CH₂Cl₂ / 20 h / Ambient temperature

3: 80 percent / 40percent aq. methylamine / aq. ethanol / 2 h / Ambient temperature

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