6-Methyl-2-heptyne

Base Information

• Chemical Name: 6-Methyl-2-heptyne
• CAS No.: 51065-64-6
• Molecular Formula: C8H14
• Molecular Weight: 110.199
• Hs Code.: 2901299090
• DSSTox Substance ID: DTXSID40199068
• Nikkaji Number: J150.901B
• Wikidata: Q83071960
• Mol file: 51065-64-6.mol

Synonyms:6-Methyl-2-heptyne;51065-64-6;6-methylhept-2-yne;Methyl isopentyl acetylene;2-Heptyne, 6-methyl;HIEALULIKYDRQN-UHFFFAOYSA-;DTXSID40199068;HIEALULIKYDRQN-UHFFFAOYSA-N;CH3C.equiv.C(CH2)2CH(CH3)2;MFCD00041619;AKOS025295402;FT-0621213;InChI=1/C8H14/c1-4-5-6-7-8(2)3/h8H,6-7H2,1-3H3

Chemical Property of 6-Methyl-2-heptyne

Chemical Property:

• Vapor Pressure: 17.1mmHg at 25°C
• Melting Point: -86.55°C (estimate)
• Refractive Index: 1.4250
• Boiling Point: 122°Cat760mmHg
• Flash Point: 15.4°C
• PSA: 0.00000
• Density: 0.763g/cm³
• LogP: 2.44590
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 97.7

Purity/Quality:

99% ^*data from raw suppliers

6-METHYL-2-HEPTYNE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: R10:Flammable.; R65:Harmful: may cause lung damage if swallowed.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S33:Take precautionary measures against static discharges.; S62:If swal

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CCCC(C)C

Technology Process of 6-Methyl-2-heptyne

There total 3 articles about 6-Methyl-2-heptyne 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:

2,5-dimethyl-1-hexene (6975-92-4) → 6-methyl-2-heptyne (51065-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Br₂, hexane, Py, (ii) KOH, EtOH

2: KOtBu

With potassium tert-butylate;

DOI:10.1021/jo00867a001

Reference yield:

1-bromo-2,5-dimethyl-hex-1-ene (57496-96-5,57496-97-6) → 6-methyl-2-heptyne (51065-64-6) + 1,3,3-Trimethylcyclopentene (57497-14-0)

Guidance literature:

With potassium tert-butylate;

DOI:10.1021/jo00867a001

Reference yield:

→ 6-methyl-2-heptyne (51065-64-6)

Guidance literature:

5-Methyl-1-hexin, n-Butyllithium, (CH3)2SO4;

DOI:10.1021/jo00925a035

upstream raw materials:

1-bromo-2,5-dimethyl-hex-1-ene

2,5-dimethyl-1-hexene

Downstream raw materials:

((E)-2-Fluoro-1,5-dimethyl-hex-1-enylselanyl)-benzene

{1-[1-Fluoro-eth-(E)-ylidene]-4-methyl-pentylselanyl}-benzene

Vinylethylacetylen

hept-1-en-3-yne