2,5-Dimethyl-3-hexene

Base Information

• Chemical Name: 2,5-Dimethyl-3-hexene
• CAS No.: 692-70-6
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 211-733-2
• NSC Number: 74168
• DSSTox Substance ID: DTXSID30895820
• Nikkaji Number: J854.454I,J110.411J
• Wikidata: Q83129001
• Mol file: 692-70-6.mol

Synonyms:(E)-2,5-Dimethylhex-3-ene;2,5-DIMETHYL-3-HEXENE;692-70-6;3-Hexene, 2,5-dimethyl-;(E)-2,5-Dimethyl-3-hexene;trans-Diisopropylethylene;3-hexene, 2,5-dimethyl-, (3E)-;cis-2.5-Dimethyl-3-hexene;(3E)-2,5-dimethylhex-3-ene;(3E)-2,5-Dimethyl-3-hexene;EINECS 211-733-2;3-Hexene, 2,5-dimethyl-, (E)-;15910-22-2;2,5-Dimethyl-trans-3-hexene;NSC74168;trans-2,5-Dimethyl-3-hexene;3-Hexene,5-dimethyl-, (E)-;DTXSID30895820;NSC 74168;NSC-74168;AKOS006271836

Chemical Property of 2,5-Dimethyl-3-hexene

Chemical Property:

• Vapor Pressure: 39.6mmHg at 25°C
• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.4040
• Boiling Point: 102°Cat760mmHg
• Flash Point: 8.4°C
• PSA: 0.00000
• Density: 0.724g/cm³
• LogP: 2.85460
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 58.1

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethyl-3-hexene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C=CC(C)C
• Isomeric SMILES: CC(C)/C=C/C(C)C

Technology Process of 2,5-Dimethyl-3-hexene

There total 21 articles about 2,5-Dimethyl-3-hexene 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: 95.0%

trans-2,5-dimethyl-3-hexene epoxide (54644-32-5) → (E)-2,5-dimethylhex-3-ene (692-70-6)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; for 0.75h; Ambient temperature;

DOI:10.1016/S0040-4039(01)81955-9

Reference yield: 78.0%

2,5-Dimethyl-2,4-hexadiene (764-13-6) → (E)-2,5-dimethylhex-3-ene (692-70-6) + 2,5-dimethylhex-2-ene (3404-78-2)

Guidance literature:

With hydrogen; poly-1,2,3-triazolyl ferrocenyl dendrimer-Pd nanoparticle; In methanol; chloroform; at 25 ℃; under 760.051 Torr;

DOI:10.1002/chem.200701410

Reference yield:

2,5-Dimethyl-2,4-hexadiene (764-13-6) → 2,5-dimethylhexane (592-13-2) + cis-2,5-Dimethyl-3-hexen (10557-44-5) + (E)-2,5-dimethylhex-3-ene (692-70-6) + 2,5-dimethylhex-2-ene (3404-78-2)

Guidance literature:

With hydrogen; In toluene; at 80 ℃; for 0.25h; under 7600.51 Torr; Reagent/catalyst; Autoclave;

DOI:10.1007/s11172-014-0657-9

upstream raw materials:

2,5-dimethylhexa-1,5-dien-3-yne

optically inactive 2,5-dichloro-hex-3t-ene

methylmagnesium bromide

2,5-Dimethyl-2,4-hexadiene

Downstream raw materials:

(+/-)-rel-((3RS,4SR)-5-chloro-2,5-dimethylhexan-3-yl)phenylselenide

cis-2,5-dimethyl-3-hexene ozonide

trans-2,5-dimethyl-3-hexene ozonide

trans-n-propylisopropylethylene ozonide

Refernces

• 1、 Sues, Peter E.,Bukhryakov, Konstantin V.,Schrock, Richard R.. "Evaluation of Several Molybdenum and Ruthenium Catalysts for the Metathesis Homocoupling of 3-Methyl-1-Butene". . . Retrieved 2017/10/17.
• 2、 Karakhanov,Maksimov,Aksenov,Kuznetsov,Filippova,Kardashev,Volkov. "Mesoporous organic Pd-containing catalysts for the selective hydrogenation of conjugated hydrocarbons". . p. 1710 - 1716. Retrieved 2015/05/20.