Benzene, 1-methyl-3-octyl

Base Information

• Chemical Name: Benzene, 1-methyl-3-octyl
• CAS No.: 51918-84-4
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.356
• DSSTox Substance ID: DTXSID301021082

Synonyms:Benzene, 1-methyl-3-octyl;1-methyl-3-octylbenzene;QMUTZNRXAKMEBK-UHFFFAOYSA-N;DTXSID301021082;51918-84-4

Chemical Property of Benzene, 1-methyl-3-octyl

Chemical Property:

• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 204.187800766
• Heavy Atom Count: 15
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=CC(=C1)C

Technology Process of Benzene, 1-methyl-3-octyl

There total 5 articles about Benzene, 1-methyl-3-octyl 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: 83.0%

1-Fluoro-octane (463-11-6) + m-tolylmagnesium bromide (28987-79-3) → m-Octyl-toluol (51918-84-4)

Guidance literature:

With [(1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene)Fe(μ2-2,6-diisopropylphenylamine(-2H))2Fe(1,3-diisopropyl-4,5-dimethyl-imidazolin-2-ylidene)]; In tetrahydrofuran; at 60 ℃; for 48h;

DOI:10.1021/om300722g

Reference yield: 35.0%

1-Fluoro-octane (463-11-6) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + m-tolylmagnesium bromide (28987-79-3) → m-Octyl-toluol (51918-84-4) + C23H36

Guidance literature:

With nickel(II) bromide dimethoxyethane; In tetrahydrofuran; at 30 ℃; for 24h; regioselective reaction;

DOI:10.1039/c7sc04675h

Reference yield:

(E)-oct-2-en-1-ol (18409-17-1) + toluene (108-88-3,15644-74-3,16713-13-6) → m-Octyl-toluol (51918-84-4) + 1-methyl-4-octylbenzene (7686-25-1) + 1-methyl-2-octylbenzene (79835-99-7)

Guidance literature:

With K₁₀ clay; hydrogen; palladium on activated charcoal; Multistep reaction; 1.) 111 deg C, 5 min;

upstream raw materials:

(E)-oct-2-en-1-ol

toluene

1-octen-3-ol

1-Fluoro-octane

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