1-(Quinolin-5-yl)ethanone

Base Information

• Chemical Name: 1-(Quinolin-5-yl)ethanone
• CAS No.: 103854-56-4
• Molecular Formula: C11H9 N O
• Molecular Weight: 171.199
• DSSTox Substance ID: DTXSID80572179
• Nikkaji Number: J1.005.082K
• Wikidata: Q82460463
• Mol file: 103854-56-4.mol

Synonyms:1-(Quinolin-5-yl)ethanone;103854-56-4;1-Quinolin-5-ylethanone;Ketone, methyl 5-quinolyl (6CI);1-(Quinolin-5-yl)ethan-1-one;Ketone, methyl 5-quinolyl;5-Acetylquinoline;5-acetyl-quinoline;Ethanone,1-(5-quinolinyl)-;SCHEMBL827107;DTXSID80572179;YSGOYTDRBSUDIA-UHFFFAOYSA-N;AMY14204;AKOS006326501;SB68036;CS-0030176;EN300-1709729;W-204512

Chemical Property of 1-(Quinolin-5-yl)ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 315.207°C at 760 mmHg
• Flash Point: 152.423°C
• PSA: 29.96000
• Density: 1.154g/cm³
• LogP: 2.43740
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 171.068413911
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98%min ^*data from raw suppliers

1-(Quinolin-5-yl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C2C=CC=NC2=CC=C1

Technology Process of 1-(Quinolin-5-yl)ethanone

There total 6 articles about 1-(Quinolin-5-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: 97.0%

→ 1-(quinolin-5-yl)ethan-1-one (103854-56-4)

Guidance literature:

Reference yield: 5.0%

1-(3-aminophenyl)ethanone (99-03-6) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1-(quinolin-5-yl)ethan-1-one (103854-56-4)

Guidance literature:

With sulfuric acid; In water; at 36 - 200 ℃; for 0.25h; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1039/c4ra00758a

Reference yield:

5-bromoquinoline (4964-71-0) + tributyl(1-ethoxyvinyl)stannane (97674-02-7) → 1-(quinolin-5-yl)ethan-1-one (103854-56-4)

Guidance literature:

5-bromoquinoline; tributyl(1-ethoxyvinyl)stannane; With bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; at 100 ℃; for 2.08333h; Sealed tube; Inert atmosphere;

With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃; for 0.75h; Sealed tube; Inert atmosphere;

upstream raw materials:

-butyl vinyl ether

5-trifluoromethanesulphonyloxyquinoline

quinoline-5-carbaldehyde

1-(quinolin-5-yl)ethan-1-ol

Downstream raw materials:

1-(quinolin-5-yl)ethan-1-ol