1-[4-(Dimethylamino)phenyl]-3-phenylprop-2-yn-1-one

Base Information

• Chemical Name: 1-[4-(Dimethylamino)phenyl]-3-phenylprop-2-yn-1-one
• CAS No.: 112539-33-0
• Molecular Formula: C17H15NO
• Molecular Weight: 249.312
• DSSTox Substance ID: DTXSID80549280
• Nikkaji Number: J2.212.632F
• Wikidata: Q82428280

Synonyms:112539-33-0;1-[4-(Dimethylamino)phenyl]-3-phenylprop-2-yn-1-one;DTXSID80549280

Chemical Property of 1-[4-(Dimethylamino)phenyl]-3-phenylprop-2-yn-1-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 249.115364102
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2

Technology Process of 1-[4-(Dimethylamino)phenyl]-3-phenylprop-2-yn-1-one

There total 3 articles about 1-[4-(Dimethylamino)phenyl]-3-phenylprop-2-yn-1-one 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: 68.0%

carbon monoxide (201230-82-2) + 4-bromo-N,N-dimethylaniline (586-77-6) + phenylacetylene (536-74-3) → 1-[4-(dimethylamino)phenyl]-3-phenylprop-2-yn-1-one (112539-33-0)

Guidance literature:

With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; potassium carbonate; catacxium A; In N,N-dimethyl-formamide; at 100 ℃; for 20h; under 7500.75 Torr; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201001864

Reference yield: 23.0%

4-(dimethylamino)benzoyl chloride (4755-50-4) + phenylacetylene (536-74-3) → 1-[4-(dimethylamino)phenyl]-3-phenylprop-2-yn-1-one (112539-33-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In 1,4-dioxane; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.3762/bjoc.15.262

Reference yield:

1-(4-(dimethylamino)phenyl)-3-phenyl-2-propyn-1-ol (477330-47-5) → 1-[4-(dimethylamino)phenyl]-3-phenylprop-2-yn-1-one (112539-33-0)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 1h; Heating;

DOI:10.1021/jo701942e

upstream raw materials:

1-(4-(dimethylamino)phenyl)-3-phenyl-2-propyn-1-ol

carbon monoxide

4-bromo-N,N-dimethylaniline

phenylacetylene

Downstream raw materials:

3-(4-bromophenyl)-6-(4-dimethylaminophenyl)-4-phenyl-α-pyrone

6-(4-dimethylaminophenyl)-3-(4-trifluoromethylphenyl)-4-phenyl-α-pyrone

6-<4-(Dimethylamino)phenyl>-3,4-diphenyl-2-pyron

1-acetyl-5-(4-(N,N-dimethylamino)phenyl)-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazole

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