5-Methyl-3-heptene

Base Information

• Chemical Name: 5-Methyl-3-heptene
• CAS No.: 13172-91-3
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2901299090
• European Community (EC) Number: 672-628-9
• Nikkaji Number: J256.608G
• Mol file: 13172-91-3.mol

Synonyms:5-Methyl-3-heptene;13172-91-3;(E)-5-Methylhept-3-ene;53510-18-2;3-Heptene, 5-methyl-;3-Heptene, 5-methyl-, (E)-;3-Heptene, 5-methyl-, trans;5-Methyl-3-heptene(cis+trans);5-Methyl-3-heptene (cis+trans);YMNTZRCUPAYGLG-UHFFFAOYSA-N;YMNTZRCUPAYGLG-VOTSOKGWSA-N;(3E)-5-METHYLHEPT-3-ENE;MFCD00049124;BS-20653;T71711

Chemical Property of 5-Methyl-3-heptene

Chemical Property:

• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.3990-1.4120
• Boiling Point: 120.2°C (estimate)
• Flash Point: 10 °C
• PSA: 0.00000
• Density: 0.71
• LogP: 2.99870
• Storage Temp.: 0-10°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 62.4

Purity/Quality:

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

5-Methyl-3-heptene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Methyl-3-heptene

There total 6 articles about 5-Methyl-3-heptene 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:

1-butylene (106-98-9,9003-28-5) → 2-ethyl-3-methylpent-1-ene (3404-67-9) + 4-octene (592-99-4,7642-15-1,14850-23-8) + oct-3-ene (14850-22-7,14919-01-8,138663-42-0,592-98-3) + 2-octene (111-67-1) + 2-ethyl-1-hexene (1632-16-2) + 3-heptene, 5-methyl- (13172-91-3) + 5-Methyl-hepten-(2) (22487-87-2)

Guidance literature:

With C₉H₈F₆NiO₂; In dichloromethane; at 30 ℃; for 24h; Reagent/catalyst; Concentration; Solvent; Temperature; Catalytic behavior; Schlenk technique; Autoclave;

DOI:10.1039/c5ra05202e

Reference yield:

1-butylene (106-98-9,9003-28-5) → 2-ethyl-3-methylpent-1-ene (3404-67-9) + 2-octene (111-67-1) + 2-ethyl-1-hexene (1632-16-2) + 3-heptene, 5-methyl- (13172-91-3)

Guidance literature:

With isobutyl-modified methylalumoxane; bis(methylphenyliminoethylpyridyl)vanadium(III) trichloride; at 30 ℃; for 16h; Further Variations:; Catalysts; Temperatures; Product distribution;

DOI:10.1002/chem.200304945

Reference yield:

iso-butanol (78-92-2,15892-23-6) → 3-heptene, 5-methyl- (13172-91-3) + butanone (78-93-3)

Guidance literature:

With reduced copper on γ-Al2O3; at 360 ℃; under 760.051 Torr;

DOI:10.1007/s10562-012-0926-x

upstream raw materials:

3-methyl-hepta-4,6-dien-1-ol

1-butylene

iso-butanol

Refernces

• 1、 Behr,Bayrak,Peitz,Stochniol,Maschmeyer. "Oligomerization of 1-butene with a homogeneous catalyst system based on allylic nickel complexes". . p. 41372 - 41376. Retrieved 2015/05/27.