5-METHYL-2-HEXENE

Base Information

• Chemical Name: 5-METHYL-2-HEXENE
• CAS No.: 7385-82-2
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• Hs Code.: 2901299090
• European Community (EC) Number: 678-594-1
• NSC Number: 73936
• UNII: YW7740XCM7
• DSSTox Substance ID: DTXSID001025647
• Nikkaji Number: J235.970G,J100.675D
• Wikidata: Q76304973
• Mol file: 7385-82-2.mol

Synonyms:2-Hexene,5-methyl-, (E)- (8CI); 2-Hexene, 5-methyl-, trans- (6CI);(E)-5-Methyl-2-hexene; 5-Methyl-trans-2-hexene; NSC 73936; trans-5-Methyl-2-hexene

Chemical Property of 5-METHYL-2-HEXENE

Chemical Property:

• Melting Point: -124.34°C
• Refractive Index: 1.3979
• Boiling Point: 88.11°C
• PSA: 0.00000
• Density: 0.6883
• LogP: 2.60860
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 51.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-METHYL-2-HEXENE

There total 16 articles about 5-METHYL-2-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: 99.0%

5-methyl-1-hexene (3524-73-0) → (E)-5-methyl-2-hexene (7385-82-2,3404-62-4)

Guidance literature:

With C₂₄H₄₂N₂PRu⁽¹⁺⁾*F₆P^(1-); In [⁽²⁾H₆]acetone; at 20 ℃; for 0.5h; stereoselective reaction;

DOI:10.1021/acscatal.8b04345

Reference yield: 51.0%

isovaleraldehyde (590-86-3) + ethylenetriphenylphosphorane (1754-88-7) → (E)-5-methyl-2-hexene (7385-82-2,3404-62-4)

Guidance literature:

In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1002/recl.19871060203

Reference yield:

trans-2-Butene (624-64-6) + azobisisopropane (15464-00-3) → 2-methyl-but-2-ene (513-35-9) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 3,4-dimethylpent-1-ene (7385-78-6) + (E)-5-methyl-2-hexene (7385-82-2,3404-62-4) + propane (74-98-6) + 2,3-dimethylbutane (79-29-8)

Guidance literature:

at 224.6 ℃; Product distribution; Rate constant; Kinetics; different initial compositions of substrates; various temperatures;

DOI:10.1039/ft9959101303

upstream raw materials:

trans-but-2-enyl chloride

isopropylmagnesium bromide

2-methylhexa-2,4-diene

acetic acid-(1-ethyl-3-methyl-butyl ester)

Refernces

• 1、 Paulson, Erik R.,Delgado, Esteban,Cooksy, Andrew L.,Grotjahn, Douglas B.. "Catalyst versus Substrate Control of Forming (E)-2-Alkenes from 1-Alkenes Using Bifunctional Ruthenium Catalysts". supporting information. p. 1672 - 1682. Retrieved 2019/01/04.
• 2、 Brouwer, A. M.,Jacobs, H. J. C.. "Spectroscopic characterization of 1-methylene-2-vinylcyclopropane and some of its derivares". . p. 48 - 53. Retrieved 2007/10/02.