Penta-1,2-dien-4-yne

Base Information

• Chemical Name: Penta-1,2-dien-4-yne
• CAS No.: 33555-85-0
• Molecular Formula: C5H4
• Molecular Weight: 64.0868
• DSSTox Substance ID: DTXSID50497663
• Nikkaji Number: J1.199.453I
• Mol file: 33555-85-0.mol

Synonyms:penta-1,2-dien-4-yne;allenylacetylene;33555-85-0;DTXSID50497663;FPCAUUABCRPODB-UHFFFAOYSA-N;EN300-39677637

Chemical Property of Penta-1,2-dien-4-yne

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 64.0313001276
• Heavy Atom Count: 5
• Complexity: 94.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C=CC#C

Technology Process of Penta-1,2-dien-4-yne

There total 4 articles about Penta-1,2-dien-4-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:

dipropargylamine (6921-28-4) → 1,2-propanediene (463-49-0) + penta-3,4-dien-1-yne (33555-85-0) + trans-prop-2-ynylideneamine (91454-80-7,97813-90-6,97813-91-7)

Guidance literature:

at 1050 ℃; Product distribution; other temperature;

DOI:10.1039/P29870000683

Reference yield:

3-Penta-1,4-diynyl acetate (56598-54-0) + methyl iodide (74-88-4) → 3-methyl-1,2-pentadien-4-yne + penta-3,4-dien-1-yne (33555-85-0) + 3,4-dimethyl-1,2,4-pentatriene (39968-66-6) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

3-Penta-1,4-diynyl acetate; methyl iodide; With copper(l) iodide; lithium; In diethyl ether; at 20 ℃; for 3h;

With ammonium chloride; In diethyl ether; water;

DOI:10.1002/ejoc.200400869

Reference yield:

3-ethynylcyclopropene (159208-95-4) → malononitrile (24442-69-1) + penta-3,4-dien-1-yne (33555-85-0)

Guidance literature:

at 500 ℃;

DOI:10.1016/0040-4039(95)00634-O

upstream raw materials:

dipropargylamine

3-ethynylcyclopropene

3-Penta-1,4-diynyl acetate

methyl iodide

Refernces

• 1、 Maurer, Helmut,Hopf, Henning. "The preparation of the last remaining acyclic isomers of benzene". . p. 2702 - 2707. Retrieved 2007/10/03.
• 2、 Osman, Osman I.,McNaughton, Donald,Suffolk, Roger J.,Watts, John D.,Kroto, Harold W.. "Photoelectron, Infrared, and Theoretical Study of the Thermolysis of 4-Azahepta-1,6-diyne: Spectra of Prop-2-ynylideneamine, H-CC-CH=NH, and Penta-3,4-diene-1-yne, CH2=C=CHCCH". . p. 683 - 688. Retrieved 2007/10/02.