4-Pentylphenyllithium

Base Information

• Chemical Name: 4-Pentylphenyllithium
• CAS No.: 100907-47-9
• Molecular Formula: C11H15Li
• Molecular Weight: 154.181
• DSSTox Substance ID: DTXSID20600501

Synonyms:100907-47-9;Lithium, (4-pentylphenyl)-;4-pentylphenyllithium;Lithium 4-pentylbenzen-1-ide;DTXSID20600501;BXHHJWZGZMELRS-UHFFFAOYSA-N

Chemical Property of 4-Pentylphenyllithium

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 154.13337891
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].CCCCCC1=CC=[C-]C=C1

Technology Process of 4-Pentylphenyllithium

There total 2 articles about 4-Pentylphenyllithium 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:

4-pentylbromobenzene (51554-95-1) → 4-pentylphenyllithium (100907-47-9)

Guidance literature:

With n-butyllithium; In hexane; nitrogen; benzene;

Reference yield:

2-(trans-4'-propylcyclohexyl)-1-bromoethane (172026-43-6) + diethyl ether (60-29-7,927820-24-4) → 2-(p-pentylphephenyl)-5-[2'-trans-4-propylcyclohexyl)ethyl]pyridine + 4-pentylphenyllithium (100907-47-9)

Guidance literature:

In tetrahydrofuran;

Reference yield: 73.0%

2-(2-methoxyphenyl)-2-methylpropanenitrile (13524-75-9) + 4-pentylphenyllithium (100907-47-9) → 3,3-dimethyl-2-(4-pentylphenyl)-3H-indole

Guidance literature:

In tetrahydrofuran; toluene; at -78 - 100 ℃; for 4h; Sealed tube;

DOI:10.1021/acs.orglett.9b00489

upstream raw materials:

2-(trans-4'-propylcyclohexyl)-1-bromoethane

diethyl ether

4-pentylbromobenzene

Downstream raw materials:

2-(4-pentylphenyl)-5-butylpyridine

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