5-Methyl-1-hexene

Base Information

• Chemical Name: 5-Methyl-1-hexene
• CAS No.: 3524-73-0
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• Hs Code.: 2901299090
• European Community (EC) Number: 273-472-0,222-541-3
• NSC Number: 73927
• UN Number: 2287
• UNII: D7GF4GV7QR
• DSSTox Substance ID: DTXSID60188732
• Nikkaji Number: J100.674F
• Wikidata: Q27276211
• Mol file: 3524-73-0.mol

Synonyms:5-Methyl-1-hexene;3524-73-0;5-Methylhex-1-ene;1-Hexene, 5-methyl-;Isoheptene;UNII-D7GF4GV7QR;D7GF4GV7QR;EINECS 222-541-3;NSC-73927;68975-47-3;AI3-37713;NSC73927;Isohepteno (9CI);DTXSID60188732;5-Methyl-1-hexene, >=99.0%;EINECS 273-472-0;MFCD00039858;NA2287;NSC 73927;UN2287;AKOS025295204;FT-0692785;M0303;D91308;Q27276211

Chemical Property of 5-Methyl-1-hexene

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 77.8mmHg at 25°C
• Melting Point: 84-85 °C
• Refractive Index: n20/D 1.396
• Boiling Point: 85.4 °C at 760 mmHg
• Flash Point: -10°C
• PSA: 0.00000
• Density: 0.703 g/cm³
• LogP: 2.60860
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 44
• Transport DOT Label: Flammable Liquid

Purity/Quality:

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

5-Methyl-1-hexene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-65
• Safety Statements: 16-23-24/25-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Methyl-1-hexene

There total 17 articles about 5-Methyl-1-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: 94.0%

(allylsulfonyl)benzene (16212-05-8) + triisobutylaluminum (100-99-2,130565-62-7) → 5-methyl-1-hexene (3524-73-0)

Guidance literature:

With dilithium tetrachlorocuprate; triphenylphosphine; In octane; at 50 ℃; for 5h;

DOI:10.1007/BF00995707

Reference yield: 80.0%

(allylsulfonyl)benzene (16212-05-8) + isobutylmagnesium bromide (926-62-5) → 5-methyl-1-hexene (3524-73-0)

Guidance literature:

With triphenylphosphine; copper dichloride; In tetrahydrofuran; at 60 ℃;

DOI:10.1007/BF00955781

Reference yield: 58.0%

(allylsulfonyl)benzene (16212-05-8) + diisobutylaluminum chloride (1779-25-5) → 5-methyl-1-hexene (3524-73-0)

Guidance literature:

With dilithium tetrachlorocuprate; triphenylphosphine; In octane; at 50 ℃; for 5h;

DOI:10.1007/BF00995707

upstream raw materials:

allyl iodid

2-methylpropylmagnesium chloride

isobutylmagnesium bromide

ethyl-(1-bromomethyl-4-methyl-pentyl)-ether

Downstream raw materials:

1,2-epoxy-5-methylhexane

cis-2-Methyl-7-octadecen

bis(tri-n-butyltin)oxide

5-methylhex-1-yne

Refernces

• 1、 Pérez, Henoc,Melero, Cristóbal,Guijarro, Albert,Yus, Miguel. "The reaction of biphenyl radical anion and dianion with alkyl fluorides. From ET to SN2 reaction pathways and synthetic applications". experimental part. p. 10769 - 10783. Retrieved 2010/02/28.
• 2、 Dzhemilev, U. M.,Ibragimov, A. G.,Minsker, D. L.. "CROSS COUPLING OF ORGANOALUMINUM COMPOUNDS WITH PHENYL ALLYL SULFONE, CATALYZED BY TRANSITION METAL COMPOUNDS". . p. 625 - 627. Retrieved 2007/10/02.