2-Ethynylquinoline

Base Information

• Chemical Name: 2-Ethynylquinoline
• CAS No.: 40176-78-1
• Molecular Formula: C11H7N
• Molecular Weight: 153.183
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40517607
• Nikkaji Number: J2.116.822J
• Wikidata: Q82379721
• Mol file: 40176-78-1.mol

Synonyms:2-ethynylquinoline;40176-78-1;2-ETHYNYL-QUINOLINE;SCHEMBL740158;DTXSID40517607;KLJNCYLWOJPRSX-UHFFFAOYSA-N;AKOS006238330;AB48506;AS-75941;D95797;EN300-105008;F2167-2848;Z1069270362

Chemical Property of 2-Ethynylquinoline

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Melting Point: 46-47 °C
• Boiling Point: 282.424oC at 760 mmHg
• PKA: 2.00±0.48(Predicted)
• Flash Point: 119.992oC
• PSA: 12.89000
• Density: 1.136g/cm3
• LogP: 2.21610
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 153.057849228
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

2-ETHYNYL-QUINOLINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=NC2=CC=CC=C2C=C1

Technology Process of 2-Ethynylquinoline

There total 10 articles about 2-Ethynylquinoline 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: 91.0%

2-methyl-4-(2′-quinolyl)but-3-yn-2-ol (831235-64-4) → 2-ethynyl-quinoline (40176-78-1)

Guidance literature:

With sodium hydroxide; In toluene; for 1h; Reflux;

DOI:10.1021/ic5007007

Reference yield: 88.0%

2-((trimethylsilyl)ethynyl)quinoline (86521-07-5) → 2-ethynyl-quinoline (40176-78-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

DOI:10.1016/j.bmc.2003.09.007

Reference yield: 74.0%

→ 2-ethynyl-quinoline (40176-78-1)

Guidance literature:

With sodium hydroxide; In toluene; for 4h; Reflux;

upstream raw materials:

2-((trimethylsilyl)ethynyl)quinoline

1,1-dibromo-2-(2-quinolyl)-1-ethene

2-methyl-4-(2′-quinolyl)but-3-yn-2-ol

2-Chloroquinoline

Downstream raw materials:

1-quinolin-2-yl-ethanone

2,2'-biquinoline

chromium⁽⁰⁾ hexacarbonyl

tungsten hexacarbonyl

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