1-(2,4-Dimethylquinolin-3-yl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dimethylquinolin-3-yl)ethanone
• CAS No.: 14428-41-2
• Molecular Formula: C13H13NO
• Molecular Weight: 199.252
• Hs Code.: 29334900
• DSSTox Substance ID: DTXSID60368931
• Nikkaji Number: J1.982.021A
• Wikidata: Q82155834
• Mol file: 14428-41-2.mol

Synonyms:1-(2,4-dimethylquinolin-3-yl)ethanone;14428-41-2;1-(2,4-dimethylquinolin-3-yl)ethan-1-one;2,4-Dimethyl-3-acetylquinoline;DTXSID60368931;AKOS006242088;SB68237;NCGC00334798-01;FT-0749129;AB01327399-02

Chemical Property of 1-(2,4-Dimethylquinolin-3-yl)ethanone

Chemical Property:

• PSA: 29.96000
• LogP: 3.05420
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.099714038
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

99.0% ^*data from raw suppliers

1-(2,4-Dimethylquinolin-3-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C

Technology Process of 1-(2,4-Dimethylquinolin-3-yl)ethanone

There total 4 articles about 1-(2,4-Dimethylquinolin-3-yl)ethanone 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: 100.0%

2-aminoacetophenone (551-93-9) + acetylacetone (123-54-6,81235-32-7) → 1-(2,4-dimethyl-quinolin-3-yl)-ethanone (14428-41-2)

Guidance literature:

With 3-methyl-1-sulfoimidazolium trichloroacetate; trichloroacetic acid; In neat (no solvent); at 100 ℃;

DOI:10.1007/s00706-014-1305-7

Reference yield: 99.0%

2-[(trimethylsilyl)ethynyl]aniline (103529-16-4) + acetylacetone (123-54-6,81235-32-7) → 1-(2,4-dimethyl-quinolin-3-yl)-ethanone (14428-41-2)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; at 85 ℃; for 15h;

DOI:10.1002/ejoc.200901257

Reference yield: 78.0%

2-ethynylaniline (52670-38-9) + acetylacetone (123-54-6,81235-32-7) → 1-(2,4-dimethyl-quinolin-3-yl)-ethanone (14428-41-2)

Guidance literature:

With iron(III) p-toluenesulfonate hexahydrate; In toluene; at 110 ℃; for 2h;

DOI:10.1039/c4ra03666b

upstream raw materials:

2-aminoacetophenone

acetylacetone

2-[(trimethylsilyl)ethynyl]aniline

2-ethynylaniline

Downstream raw materials:

4β-[6-(4-[(E)-3-(2,4-dimethyl-3-quinolyl)-3-oxo-1-propenyl]-2-methoxyphenoxy)hexanamido]-4-deoxypodophyllotoxin

4β-[2-(4-[(E)-3-(2,4-dimethyl-3-quinolyl)-3-oxo-1-propenyl]-2-methoxyphenoxy)acetamido]-4-deoxypodophyllotoxin

2-(4-[(E)-3-(2,4-dimethyl-3-quinolyl)-3-oxo-1-propenyl]-2-methoxyphenoxy)acetic acid

ethyl 2-(4-[(E)-3-(2,4-dimethyl-3-quinolyl)-3-oxo-1-propenyl]-2-methoxyphenoxy)acetate