8-Ethylquinoline

Base Information

• Chemical Name: 8-Ethylquinoline
• CAS No.: 19655-56-2
• Molecular Formula: C11H11 N
• Molecular Weight: 157.215
• Hs Code.: 2933499090
• UNII: AVE2CK5VM3
• DSSTox Substance ID: DTXSID20173321
• Nikkaji Number: J47.683H
• Wikidata: Q63395670
• Mol file: 19655-56-2.mol

Synonyms:8-Ethylquinoline;19655-56-2;Quinoline, 8-ethyl-;8-ETHYL QUINOLINE;MFCD00040688;CCRIS 7816;8-Ethylquinoline #;Ethylquinoline, 8-;AVE2CK5VM3;SCHEMBL643810;DTXSID20173321;AKOS016014268;SB67617;CS-12349;SY047171;CS-0152545;FT-0692983;EN300-41745;A919601;Q63395670;Z425327454

Chemical Property of 8-Ethylquinoline

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Melting Point: 51.53°C (estimate)
• Refractive Index: 1.6131 (estimate)
• Boiling Point: 268.6°Cat760mmHg
• PKA: 5.03±0.17(Predicted)
• Flash Point: 110.4°C
• PSA: 12.89000
• Density: 1.05g/cm³
• LogP: 2.79720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

8-ethylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC2=C1N=CC=C2

Technology Process of 8-Ethylquinoline

There total 16 articles about 8-Ethylquinoline 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: 95.0%

2-propionylpyridine (3238-55-9) + 8-bromoquinoline (16567-18-3) → 8-ethylquinoline (19655-56-2)

Guidance literature:

With 2.9-dimethyl-1,10-phenanthroline; palladium(II) trifluoroacetate; potassium tert-butylate; In toluene; at 120 ℃; for 20h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02498

Reference yield: 92.0%

ortho-ethylaniline (578-54-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 8-ethylquinoline (19655-56-2)

Guidance literature:

With sulfuric acid; potassium iodide; In water; at 145 ℃; for 15h;

DOI:10.1246/bcsj.20190263

Reference yield: 90.0%

8-(α-bromomercuriethyl)quinoline (98701-63-4) → 8-ethylquinoline (19655-56-2) + 8-(1-methoxyethyl)quinoline + dimer of 1-(8-quinolyl)ethyl radical + mercury

Guidance literature:

With methanol; In methanol; byproducts: HBr; 65°C, 15min; detection of radical intermediate by ESR, analysis by GLC: 90-99% ROMe, traces RH, 1-5% R2;

DOI:10.1007/BF00956357

upstream raw materials:

8-ethyl-quinoline-2-carboxylic acid

ortho-ethylaniline

glycerol

8-methylquinoline

Downstream raw materials:

8-carboxyquinoline

1-(quinolin-8-yl)ethan-1-one

8-ethyl-quinolin-2-ol

8-[1-(1H-imidazol-4-yl)-ethyl]-quinoline