3-Ethylquinoline

Base Information

• Chemical Name: 3-Ethylquinoline
• CAS No.: 1873-54-7
• Molecular Formula: C11H11N
• Molecular Weight: 157.215
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80172037
• Nikkaji Number: J47.677C
• Wikidata: Q63395616
• Mol file: 1873-54-7.mol

Synonyms:3-Ethylquinoline;1873-54-7;Quinoline, 3-ethyl-;3-ethyl-quinoline;3-ethylquino-line;3-ETHYL QUINOLINE;SCHEMBL151560;DTXSID80172037;AKOS006274946;SB67511;FT-0653071;A813139;Q63395616

Chemical Property of 3-Ethylquinoline

Chemical Property:

• Appearance/Colour: yellow oil-like liquid
• Vapor Pressure: 0.0158mmHg at 25°C
• Melting Point: 51.53°C (estimate)
• Refractive Index: 1.608
• Boiling Point: 264.524 °C at 760 mmHg
• Flash Point: 107.982 °C
• PSA: 12.89000
• Density: 1.051 g/cm³
• LogP: 2.79720
• Storage Temp.: 2-8°C
• XLogP3: 3
• 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:

98.0%Min ^*data from raw suppliers

3-Ethylquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=CC=CC=C2N=C1

Technology Process of 3-Ethylquinoline

There total 23 articles about 3-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: 97.0%

3-ethynylquinoline (78593-40-5) → 3-ethyl quinoline (1873-54-7)

Guidance literature:

With copper(ll) sulfate pentahydrate; 2.9-dimethyl-1,10-phenanthroline; hydrazine hydrate; In ethanol; at 78 ℃; for 18h;

DOI:10.1021/acs.joc.1c01803

Reference yield: 95.0%

2-Aminobenzyl alcohol (5344-90-1) + butyraldehyde (123-72-8) → 3-ethyl quinoline (1873-54-7)

Guidance literature:

With potassium hydroxide; at 80 ℃; for 6h;

DOI:10.1039/c5ob01422k

Reference yield: 90.0%

3-bromoquinoline (5332-24-1) + triethyl borane (97-94-9) → 3-ethyl quinoline (1873-54-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In tetrahydrofuran; Inert atmosphere; Reflux;

DOI:10.1002/adsc.200800630

upstream raw materials:

2-chloro-3-ethylquinoline

butyraldehyde

o-aminobenzaldehyde

2-(hydroxymethyl)-2-methylpropane-1,3-diol

Downstream raw materials:

quinoline-3-carboxylic acid

Refernces

• 1、 Utermohlen. "-". . p. 544,546. Retrieved 1943.
• 2、 Gao, Yang,Nie, Jianhong,Li, Yibiao,Li, Xianwei,Chen, Qian,Huo, Yanping,Hu, Xiao-Qiang. "Rh-Catalyzed C-H Amination/Annulation of Acrylic Acids and Anthranils by Using -COOH as a Deciduous Directing Group: An Access to Diverse Quinolines". supporting information. p. 2600 - 2605. Retrieved 2020/04/02.
• 3、 Wu, Qingsong,Han, Shuaijun,Ren, Xiaoxiao,Lu, Hongtao,Li, Jingya,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng. "Pd-Catalyzed Alkylation of (Iso)quinolines and Arenes: 2-Acylpyridine Compounds as Alkylation Reagents". supporting information. p. 6345 - 6348. Retrieved 2018/10/20.