1,3-Hexadien-5-yne

Base Information

• Chemical Name: 1,3-Hexadien-5-yne
• CAS No.: 10420-90-3
• Molecular Formula: C6H6
• Molecular Weight: 78.1136
• Hs Code.: 2901299090
• Nikkaji Number: J2.041.954G,J102.117F
• Mol file: 10420-90-3.mol

Synonyms:Butadienylacetylene;1,3-Hexadien-5-yne;10420-90-3;HC.$.CCH=CHCH=CH2;(3E)-1,3-Hexadien-5-yne #;(E)-1,3-hexadien-5-yne;trans-hexa-1,3-dien-5-yne;(E)-1,3-Hexadiene-5-yne;(E)-3,5-Hexadien-1-yne;OGWJYLKDZYZYBA-AATRIKPKSA-N

Chemical Property of 1,3-Hexadien-5-yne

Chemical Property:

• Vapor Pressure: 83.9mmHg at 25°C
• Melting Point: -81°C
• Refractive Index: 1.5095
• Boiling Point: 83.5°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.78g/cm³
• LogP: 1.36180
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 78.0469501914
• Heavy Atom Count: 6
• Complexity: 98.5

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC=CC#C
• Isomeric SMILES: C=C/C=C/C#C

Technology Process of 1,3-Hexadien-5-yne

There total 6 articles about 1,3-Hexadien-5-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: 17.0%

hexa-1,5-diyne (628-16-0) → 1,3-hexadien-5-yne (10420-90-3) + 3,4-dimethylenecyclobutene (5291-90-7) + fulvene (497-20-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

In pentane; at 610 ℃; for 8.33333E-05h;

Reference yield:

propargyl bromide (106-96-7) → 1,3-hexadien-5-yne (10420-90-3) + 1,2-hexadiene-5-yne (33142-15-3) + 1,2,4,5-hexatetraene (29776-96-3) + hexa-1,5-diyne (628-16-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With sodium; In gas; at 623 ℃; under 300 Torr; Rate constant; Product distribution; Mechanism; ΔH(reaction), var. conc. of reaction partners;

Reference yield:

2-propynyl chloride (624-65-7) → 1,3-hexadien-5-yne (10420-90-3) + 1,2-hexadiene-5-yne (33142-15-3) + 1,2,4,5-hexatetraene (29776-96-3) + hexa-1,5-diyne (628-16-0) + prop-1-yne (74-99-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With sodium; In gas; at 623 ℃; under 300 Torr; Rate constant; Product distribution; Kinetics; ΔH(reaction), mechanism, further temp., var. conc. of reaction partners;

upstream raw materials:

2-propynyl chloride

propargyl bromide

hexa-1,5-diyne

2-bromofuran

Downstream raw materials:

fulvene

benzene

butadienyl methyl ketone

(+/-)-3c-ethyl-cyclohexane-1r,2c-dicarboxylic acid