Ethanone, 1-[4-(2-propynylamino)phenyl]-

Base Information

• Chemical Name: Ethanone, 1-[4-(2-propynylamino)phenyl]-
• CAS No.: 109702-67-2
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• DSSTox Substance ID: DTXSID20466826
• Nikkaji Number: J1.876.113K
• Wikidata: Q82293469
• Mol file: 109702-67-2.mol

Synonyms:109702-67-2;Ethanone, 1-[4-(2-propynylamino)phenyl]-;SCHEMBL4817527;DTXSID20466826;BZZJKCFKKMCXJK-UHFFFAOYSA-N;1-[4-(2-propynylamino)phenyl]ethanone

Chemical Property of Ethanone, 1-[4-(2-propynylamino)phenyl]-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)NCC#C

Technology Process of Ethanone, 1-[4-(2-propynylamino)phenyl]-

There total 2 articles about Ethanone, 1-[4-(2-propynylamino)phenyl]- 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: 77.0%

p-aminobenzophenone (99-92-3) + propargyl bromide (106-96-7) → 1-<4-(2-propynylamino)phenyl>ethanone (109702-67-2)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; Sealed tube; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.11.097

Reference yield: 49.0%

p-aminobenzophenone (99-92-3) + 2-propynyl chloride (624-65-7) → 1-<4-(2-propynylamino)phenyl>ethanone (109702-67-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In hexane; ethyl acetate; toluene;

Reference yield: 77.0%

1-<4-(2-propynylamino)phenyl>ethanone (109702-67-2) + methyl 2-methoxy-2-(piperidin-1-yl)acetate (13887-54-2) → methyl 1-(4-acetylphenyl)-1H-pyrrole-2-carboxylate

Guidance literature:

With copper dichloride; In toluene; at 100 ℃; for 2h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/ejoc.201500098

upstream raw materials:

p-aminobenzophenone

propargyl bromide

2-propynyl chloride

Downstream raw materials:

N-[6-[[(4-acetylphenyl)-2-propynylamino]methyl]-3,4-dihydro-4-oxo-2-quinazolinyl]-2,2-dimethylpropanamide

2,2-dimethylpropanoic acid, [6-[[(4-acetylphenyl)-2-propynylamino]methyl]-4-oxo-3(4H)-quinazolinyl]methyl ester

p-aminobenzophenone

6-[[(4-acetylphenyl)-2-propynylamino]methyl]-4(3H)-quinazolinone