5-Methyl-1-heptene

Base Information

• Chemical Name: 5-Methyl-1-heptene
• CAS No.: 13151-04-7
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2901299090
• NSC Number: 249818
• UNII: E38UJ4JE9C
• DSSTox Substance ID: DTXSID40871211
• Nikkaji Number: J125.214C
• Mol file: 13151-04-7.mol

Synonyms:5-Methyl-1-heptene;1-Heptene, 5-methyl-;13151-04-7;5-methylhept-1-ene;E38UJ4JE9C;NSC-249818;1-Heptene,5-methyl-;NSC249818;UNII-E38UJ4JE9C;DTXSID40871211;WNEYWVBECXCQRT-UHFFFAOYSA-N;AKOS006287598;NSC 249818

Chemical Property of 5-Methyl-1-heptene

Chemical Property:

• Vapor Pressure: 25.7mmHg at 25°C
• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.411
• Boiling Point: 112.4 °C at 760 mmHg
• Flash Point: 15.5 °C
• PSA: 0.00000
• Density: 0.719 g/cm³
• LogP: 2.99870
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 55.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC(C)CCC=C

Technology Process of 5-Methyl-1-heptene

There total 6 articles about 5-Methyl-1-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: 82.0%

1-bromo-2-methyl-butane (10422-35-2,99032-67-4,534-00-9,5973-11-5) + allyl bromide (106-95-6) → 5-methylhept-1-ene (13151-04-7)

Guidance literature:

allyl bromide; With magnesium; In diethyl ether;

1-bromo-2-methyl-butane; With dilithium tetrachlorocuprate; In tetrahydrofuran; diethyl ether; at -70 - 20 ℃;

DOI:10.1271/bbb.90805

Reference yield: 74.0%

1,5-Hexadien (592-42-7) + triethylaluminum (97-93-8) → 5-methylhept-1-ene (13151-04-7) + 3,6-dimethyloctane (15869-94-0)

Guidance literature:

1,5-Hexadien; triethylaluminum; With zirconocene dichloride; In toluene; at 40 ℃; for 4h;

With water; Acidic conditions;

DOI:10.1007/s11172-015-1182-1

Reference yield:

7-iodo-5-methyl-hept-1-ene → 5-methylhept-1-ene (13151-04-7) + methylcycloheptane (4126-78-7) + 5-Methyl-hepten-(2) (22487-87-2) + 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; In benzene; Heating;

DOI:10.1021/ol0160755

upstream raw materials:

1,5-Hexadien

diethylmagnesium

1-bromo-2-methyl-butane

allyl bromide

Downstream raw materials:

5-methyl-1-heptanol

(E)-14-Methyl-8-Hexadecenal

(Z)-14-Methyl-8-Hexadecenal

7-methyl-1-nonyne

Refernces

• 1、 Mori, Kenji. "New syntheses of 1,7-dimethylnonyl propanoate, the western corn rootworm pheromone, in four different ways via cross metathesis, alkylation and coupling reactionsss". scheme or table. p. 595 - 600. Retrieved 2011/04/23.
• 2、 Dzhemilev, U. M.,Vostrikova, O. S.,Sulmanov, R. M.,Kukovinets, A. G.,Khalilov, L. M.. "REGIOSELECTIVE REACTION OF FUNCTIONALLY SUBSTITUTED MONO-, DI-, AND TRIOLEFINS WITH ALKYLMAGNESIUM COMPOUNDS, CATALYZED BY Cp2ZrCl2". . p. 1873 - 1879. Retrieved 2007/10/02.