Hex-3-yne

Base Information

• Chemical Name: Hex-3-yne
• CAS No.: 928-49-4
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• Hs Code.: 29012990
• European Community (EC) Number: 213-173-4
• UNII: 9GTQ990Q4K
• DSSTox Substance ID: DTXSID30239144
• Nikkaji Number: J96.544H
• Wikipedia: 3-Hexyne
• Wikidata: Q223080
• Mol file: 928-49-4.mol

Synonyms:3-HEXYNE;Hex-3-yne;928-49-4;Diethylacetylene;UNII-9GTQ990Q4K;9GTQ990Q4K;EINECS 213-173-4;3-Hexyne, 99%;MFCD00009381;C2H5C.$.CC2H5;DTXSID30239144;AKOS015838485;FT-0615791;H0430;D90867;Q223080

Chemical Property of Hex-3-yne

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 186 mm Hg ( 37.7 °C)
• Melting Point: -103.1°C
• Refractive Index: n20/D 1.411(lit.)
• Boiling Point: 79.785 °C at 760 mmHg
• Flash Point: 6 °F
• PSA: 0.00000
• Density: 0.741 g/cm³
• LogP: 1.80980
• Storage Temp.: Flammables area
• Solubility.: 0.559g/l
• Water Solubility.: Not miscible in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 60.5

Purity/Quality:

98% ^*data from raw suppliers

3-Hexyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F； Xn； Xi
• Hazard Codes: F,Xn,Xi
• Statements: 11-36/37/38-65
• Safety Statements: 16-26-36-62-33-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC#CCC
• Uses: 3-Hexyne is used in the synthesis of fused hetero-hydropyridyl ligands bonded to the {Ru(p-cymene)} organometallic moiety by reacting with ruthenacycles. It was also used in the preparation of [4+2] cycloaddition product by reacting with borole.

Technology Process of Hex-3-yne

There total 31 articles about Hex-3-yne 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: 83.0%

→ hex-3-yne (928-49-4)

Guidance literature:

With sodium thiomethoxide; In N,N-dimethyl-formamide; at 25 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(99)01643-3

Reference yield:

1-phenyl-1-butyne (622-76-4,83585-27-7) → hex-3-yne (928-49-4) + diphenyl acetylene (501-65-5)

Guidance literature:

silica-supported molybdenum catalyst; In ⁽²⁾H₈-toluene; at 24 ℃;

DOI:10.1002/anie.200502840

Reference yield:

2-Pentyne (627-21-4) → dimethylacetylene (503-17-3) + hex-3-yne (928-49-4)

Guidance literature:

NMo(OC(CF₃)3)3-NCMe; In benzene-d6; for 3.5h; Title compound not separated from byproducts;

DOI:10.1021/ja058036k

upstream raw materials:

3,4-dibromo-hex-3-ene

meso-3,4-dibromohexane

methylmagnesium bromide

1,4-Dichloro-2-butyne

Downstream raw materials:

2-Ethylbutanoic acid

3,4-hexanedione

trans-3-Hexene

3,3-Difluorohexane

Refernces

• 1、 Noonikara-Poyil, Anurag,Ridlen, Shawn G.,Dias, H.V.Rasika. "Isolable Copper(I) ?2-Cyclopropene Complexes". . p. 17860 - 17865. Retrieved 2020/11/30.
• 2、 Biswas, Aniruddha,Giri, Dipanjan,Das, Debapratim,De, Anurima,Patra, Sanjib K.,Samanta, Rajarshi. "A Mild Rhodium Catalyzed Direct Synthesis of Quinolones from Pyridones: Application in the Detection of Nitroaromatics". . p. 10989 - 10996. Retrieved 2017/10/27.