1,3-BUTADIENE-D6

Base Information

• Chemical Name: 1,3-BUTADIENE-D6
• CAS No.: 1441-56-1
• Molecular Formula: C4D6
• Molecular Weight: 60.044
• Mol file: 1441-56-1.mol

Synonyms:1,3-Butadiene-d6(6CI,7CI); Butadiene-d6; Perdeutero-1,3-butadiene

Chemical Property of 1,3-BUTADIENE-D6

Chemical Property:

• Vapor Pressure: 3102 mm Hg ( 37.7 °C)
• Melting Point: ?109 °C(lit.)
• Boiling Point: ?4.5 °C(lit.)
• Flash Point: °C
• PSA: 0.00000
• Density: 0.638 g/cm³
• LogP: 1.35840

Purity/Quality:

99% ^*data from raw suppliers

1,3-Butadiene(D6,98%)+Hydroquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,F+
• Statements: 45-12-46
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 1,3-BUTADIENE-D6

There total 5 articles about 1,3-BUTADIENE-D6 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: 60.0%

Hexachlorobutadiene (87-68-3) → butadiene-d6 (1441-56-1)

Guidance literature:

With water-d2; copper; zinc; In 1,4-dioxane; for 2h;

Reference yield:

methyl vinyl ketone-d6 → acetylene-d2 (1070-74-2) + ethane-d6 (1632-99-1) + Ethylene-d4 (683-73-8,25549-98-8) + butadiene-d6 (1441-56-1) + hexadeuteriopropene (1517-52-8,1560-60-7)

Guidance literature:

In gas; Product distribution; Irradiation; 193 nm photolysis, He quencher;

DOI:10.1021/j100001a040

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → butadiene-d6 (1441-56-1)

Guidance literature:

With deuterium; magnesium hydroxide; at 24.9 ℃;

DOI:10.1039/f19878301213

upstream raw materials:

Hexachlorobutadiene

buta-1,3-diene

1,4-dioxane

Downstream raw materials:

cis-1,2,5,6-tetrahydrophthalic anhydride-d6

Refernces

• 1、 Fahr, Askar,Laufer, Allan H.. "Deuterium Isotope Effect in Vinyl Radical Combination/Disproportionation Reactions". . p. 262 - 264. Retrieved 2007/10/02.
• 2、 Brock, Martin,Hintze, Horst,Heesing, Albert. "Hydrogen Transfer Reactions, 9. Synthesis and Analytics of Selectively Deuterated 1,4-Cyclohexadienes and 1,4-Dihydronaphthalenes". . p. 3718 - 3726. Retrieved 2007/10/02.