1,5-Hexadiene

Base Information

Chemical Name:1,5-Hexadiene
CAS No.:592-42-7
Deprecated CAS:41919-05-5
Molecular Formula:C6H10
Molecular Weight:82.1454
Hs Code.:
European Community (EC) Number:209-754-7
NSC Number:60690
UNII:4MTZ4764FI
DSSTox Substance ID:DTXSID4049323
Nikkaji Number:J6.762H
Wikipedia:1,5-Hexadiene
Wikidata:Q161551
Metabolomics Workbench ID:130586
ChEMBL ID:CHEMBL31747
Mol file:592-42-7.mol

Synonyms:1,5-hexadiene

Suppliers and Price of 1,5-Hexadiene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 18 raw suppliers

Chemical Property of 1,5-Hexadiene

Chemical Property:

Appearance/Colour:clear colorless to slightly yellow liquid
Vapor Pressure:226mmHg at 25°C
Melting Point:−141 °C(lit.)
Refractive Index:n20/D 1.404(lit.)
Boiling Point:60 °C(lit.)
Flash Point:−17 °F
PSA：0.00000
Density:0.697 g/cm³
LogP:2.13860
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:82.078250319
Heavy Atom Count:6
Complexity:36

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s): F; Xn
Hazard Codes: F:Highly flammable;
Statements: R11:Highly flammable.; R36/37:Irritating to eyes and respiratory system.;
Safety Statements: S16:Keep away from sources of ignition - No smoking.;

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Aliphatics, Unsaturated
Canonical SMILES:C=CCCC=C
Use Description **1,5-Hexadiene**, a simple hydrocarbon compound, finds applications in various fields. In the field of organic chemistry, it serves as a valuable starting material for the synthesis of more complex molecules. Its double bonds make it a useful reactant in the creation of polymers, resins, and specialty chemicals. In the petrochemical industry, it can be employed as a feedstock for the production of synthetic rubbers, which are crucial components in the manufacture of tires, seals, and various rubber products. Additionally, it is used in the development of pharmaceuticals and agrochemicals as a building block for chemical synthesis. The versatility of 1,5-hexadiene, with its ability to participate in diverse chemical reactions, makes it an essential compound with applications in multiple scientific and industrial domains.

Technology Process of 1,5-Hexadiene

There total 261 articles about 1,5-Hexadiene 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: 0.4%

: 3310-62-1
2,3-diazabicyclo<2.2.2>oct-2-ene

: 592-42-7
1,5-Hexadien

: 4096-34-8
cyclohex-3-enone

: 186-04-9
bicyclo[2.2.0]hexane

: 280-53-5
2,3-dioxabicyclo[2.2.2]octane

: 4096-33-7
cyclohex-3-enyl hydroperoxide

Guidance literature:: With benzophenone; oxygen; In trichlorofluoromethane; at -20 ℃; for 8h; under 7600 Torr; Mechanism; Irradiation; oxygen trapping of the intermediate triplet biradical 1,4-cyclohexadiyl;
DOI:10.1021/ja00336a069

Reference yield:

: 56-23-5
tetrachloromethane

: 187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4
propene

: 927-54-8
5-chlorohex-1-ene

: 13275-22-4
1,1,1,5-tetrachloro-3-methylhexane

: 592-42-7
1,5-Hexadien

: 13279-85-1
1,1,1-trichloro-butane

: 13275-19-9
1,1,1,3-tetrachlorobutane

: 13275-20-2
1,1,1-trichloro-3-methyl-hexane

Guidance literature:: With di-tert-butyl peroxide; at 140 ℃; for 1h; Product distribution; Mechanism; chain termination in the telomerization of title compound;
DOI:10.1007/BF00957255

Reference yield:

: 130436-11-2
C₁₀H₁₁NO₃S

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 627-27-0
homoalylic alcohol

: 592-42-7
1,5-Hexadien

: 7319-38-2
3-butenal

: 100-32-3
di(p-nitrophenyl) disulfide

: 32894-70-5
allyl 4-nitrophenyl sulfide

Guidance literature:: In benzene; Product distribution; Irradiation;
DOI:10.1021/jo00310a008

upstream raw materials:

Downstream raw materials:

1,1,1,3-tetrachloro-7-heptene

1,1,1,3,6,8,8,8-octachlorooctane

1,2-epoxy-5-hexene

1,5-hexadiene diepoxide

Refernces

Selective tandem enyne metathesis for the synthesis of functionalized cycloheptadienes

10.1016/j.tet.2008.03.027

The study presents an investigation into the selective synthesis of functionalized cycloheptadienes through tandem enyne metathesis, utilizing Grubbs' catalyst to achieve regio- and site-selective ring expansion of dienes and substituted cyclopentenes. The research focuses on the influence of ring strain on the reactivity and selectivity of the metathesis process, elucidating the mechanistic aspects that contribute to the formation of 1,3-cycloheptadienes. The study also explores the reaction's scope and limitations, including the impact of different substituents and the potential for further functionalization of the synthesized cycloheptadienes. The findings provide valuable insights into the control of alkene stereoselectivity in enyne metathesis and the development of efficient synthetic strategies for complex molecule synthesis.

Anti-Cram Selective Reduction of Acyclic Ketones via Electron-Transfer-Initiated Processes

10.1021/ja00221a093

The research investigates the Cope rearrangement and the selective reduction of acyclic ketones via electron-transfer-initiated processes. In the study of the Cope rearrangement, the chair and boat transition states were analyzed using CASSCF calculations. The chair transition state was found to have an energy of 40.7 kcal/mol above the CAS-optimized C2 geometry for 1,5-hexadiene, with an enthalpy of activation of 37.7 kcal/mol after correction for vibrational energy differences. The boat transition state had a higher energy and a larger value of R (2.316 ?) compared to the chair. The study found that both transition states are concerted and synchronous, contrasting with previous findings from AM1 and ab initio calculations. In the study of the selective reduction of acyclic ketones, various reducing agents were used, including LiAlH4, L-Selectride, Li-NH3, Li-NH3-NH4+, Na-EtOH, and SmI2. The results showed that reductions via electron-transfer-initiated processes, such as Birch reduction, Bouvault-Blanc reduction, and samarium iodide reduction, predominantly produced the anti-Cram isomer, while LiAlH4 and L-Selectride reductions produced the Cram isomer. The preference for the anti-Cram isomer in electron-transfer-initiated reductions is attributed to the relative stability of carbanion intermediates and the protonation step.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 592-42-7

Total 8 Pictures about this product

Encyclopedia