2-Pentyne

Base Information

• Chemical Name: 2-Pentyne
• CAS No.: 627-21-4
• Molecular Formula: C5H8
• Molecular Weight: 68.1185
• Hs Code.: 29012900
• European Community (EC) Number: 210-989-2
• UNII: 57NG6HKI9D
• DSSTox Substance ID: DTXSID80211758
• Nikkaji Number: J43.571F
• Wikipedia: 2-Pentyne
• Wikidata: Q10844269
• Mol file: 627-21-4.mol

Synonyms:2-PENTYNE;627-21-4;Pent-2-yne;Ethylmethylacetylene;1-Ethyl-2-methylacetylene;UNII-57NG6HKI9D;57NG6HKI9D;EINECS 210-989-2;2-Pentyne, 98%;METHYL ETHYL ACETYLENE;C2H5C.$.CCH3;DTXSID80211758;MFCD00009380;AKOS015841148;FT-0613269;P0628;D91988;Q10844269

Chemical Property of 2-Pentyne

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 393 mm Hg ( 37.7 °C)
• Melting Point: ?109 °C(lit.)
• Refractive Index: n20/D 1.404(lit.)
• Boiling Point: 56-57 °C(lit.)
• Flash Point: ?23 °F
• PSA: 0.00000
• Density: 0.71 g/mL at 25 °C(lit.)
• LogP: 1.41970
• Storage Temp.: Flammables area
• Solubility.: soluble in Ether,Alcohol,Benzene
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 58.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Pentyne ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC#CC
• Uses: 2-Pentyne was used to test the catalytic activity of nanoparticles of palladium supported on bacterial biomass, bio-Pd.

Technology Process of 2-Pentyne

There total 44 articles about 2-Pentyne 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%

Et2CCl2 (21571-91-5) → 2-Pentyne (627-21-4)

Guidance literature:

With 18-crown-6 ether; potassium tert-butylate; In Petroleum ether; at 70 ℃; for 3h;

Reference yield: 43.0%

1(E)-chloro-1-butene (7611-87-2) → 2-Pentyne (627-21-4)

Guidance literature:

With sec.-butyllithium; methyl iodide; In tetrahydrofuran; at -110 ℃; Product distribution; various reaction conditions;

DOI:10.1021/jo00185a060

Reference yield: 42.0%

(Z)-1-chloro-1-butene (7611-86-1) → 2-Pentyne (627-21-4)

Guidance literature:

With sec.-butyllithium; methyl iodide; In tetrahydrofuran; at -110 ℃; Product distribution; Rate constant;

DOI:10.1021/jo00185a060

upstream raw materials:

but-1-yne

penta-2,3-diene

1-Pentyne

Et₂CCl₂

Downstream raw materials:

penta-1,3-diene

1-Pentyne

(Z)-pent-2-ene

2,2-dichlorobutanal

Refernces

• 1、 Maercker, Adalbert,Tatai, Andrea,Grebe, Burkhard,Girreser, Ulrich. "Polylithiumorganic compounds. Part 28. The reaction of allene and alkyl substituted allenes with lithium metal". . p. 1 - 8. Retrieved 2007/10/03.
• 2、 Hopf, Henning,Von Der Schulenburg, Wilhelm Graf,Walsh, Robin. "Direct Study of a Nondegenerate Cyclopropene-to-Cyclopropene Isomerization". . p. 381 - 383. Retrieved 2007/10/03.