2-Octyne

Base Information

• Chemical Name: 2-Octyne
• CAS No.: 2809-67-8
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• European Community (EC) Number: 220-553-3
• UNII: YP28K987X2
• DSSTox Substance ID: DTXSID10182366
• Nikkaji Number: J132.805K
• Wikipedia: 2-Octyne
• Wikidata: Q15718328
• Mol file: 2809-67-8.mol

Synonyms:2-OCTYNE;Oct-2-yne;2809-67-8;Methylpentylacetylene;YP28K987X2;EINECS 220-553-3;80652-33-1;2-Octyne, 97%;n-C5H11C.$.CCH3;Amylmethylacetylene;n-C5H11C.equiv.CCH3;UNII-YP28K987X2;DTXSID10182366;MFCD00027302;AKOS015841152;FT-0613251;O0125;D91805;J-016969;Q15718328

Chemical Property of 2-Octyne

Chemical Property:

• Vapor Pressure: 9.16mmHg at 25°C
• Melting Point: -61.6°C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 136.4°Cat760mmHg
• Flash Point: 24.1°C
• PSA: 0.00000
• Density: 0.765g/cm³
• LogP: 2.59000
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 89.1

Purity/Quality:

98% ^*data from raw suppliers

2-Octyne ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC#CC

Technology Process of 2-Octyne

There total 24 articles about 2-Octyne 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: 94.0%

n-octyne (629-05-0) → oct-2-yne (2809-67-8)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; at 150 ℃; for 8h;

Reference yield: 62.0%

2,2-dichloro-octane (73642-95-2) → oct-2-yne (2809-67-8) + n-octyne (629-05-0) + octa-1,2-diene (1072-19-1)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; In Petroleum ether; at 80 ℃; for 12h; Title compound not separated from byproducts;

Reference yield: 10.0%

1-(trimethylsilyl)-1-hexyne (3844-94-8) + n-octyne (629-05-0) → trimethyl(oct-1-yn-1-yl)silane (15719-55-8) + oct-2-yne (2809-67-8) + 2-Hexyne (764-35-2) + hex-1-yne (693-02-7)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; Yb-imine; methyl iodide; In tetrahydrofuran; for 17h; Ambient temperature;

upstream raw materials:

rac-octan-2-ol

2-octene

n-octyne

diethyl ether

Downstream raw materials:

2-octene

cis-2-octene

trans-2-Octene

n-octyne

Refernces

• 1、 Liu, Bingxue,Liu, Qiang,Liu, Xufang. "Migratory Hydrogenation of Terminal Alkynes by Base/Cobalt Relay Catalysis". supporting information. p. 6750 - 6755. Retrieved 2020/03/13.
• 2、 Munoz-Bascon, Juan,Sancho-Sanz, Iris,Alvarez-Manzaneda, Enrique,Rosales, Antonio,Oltra, J. Enrique. "Highly selective barbier-type propargylations and allenylations catalyzed by titanocene(III)". supporting information. p. 14479 - 14486,8. Retrieved 2020/08/24.