N-Octyllithium

Base Information

• Chemical Name: N-Octyllithium
• CAS No.: 3314-49-6
• Molecular Formula: C8H17 Li
• Molecular Weight: 120.164
• Hs Code.: 2931900090
• European Community (EC) Number: 658-071-4
• DSSTox Substance ID: DTXSID80436828
• Mol file: 3314-49-6.mol

Synonyms:N-OCTYLLITHIUM;3314-49-6;Lithium, octyl-;Lithium,octyl-;DTXSID80436828;CPNOVDWZRIYWQV-UHFFFAOYSA-N;AKOS006284563;J-523741

Chemical Property of N-Octyllithium

Chemical Property:

• PSA: 0.00000
• LogP: 3.18100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 120.14902898
• Heavy Atom Count: 9
• Complexity: 35.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].CCCCCCC[CH2-]

Technology Process of N-Octyllithium

There total 5 articles about N-Octyllithium 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:

n-chlorooctane (111-85-3) + lithium 4,4′-di-tert-butylbiphenylide (61217-61-6) → octane (111-65-9) + octyllithium (3314-49-6)

Guidance literature:

In tetrahydrofuran; at -78 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/jo01298a034

Reference yield:

n-chlorooctane (111-85-3) + lithium 1-naphthalenide (7308-67-0) → octane (111-65-9) + octyllithium (3314-49-6)

Guidance literature:

In tetrahydrofuran; at -78 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/jo01298a034

Reference yield:

1-bromo-octane (111-83-1) + lithium 4,4′-di-tert-butylbiphenylide (61217-61-6) → octane (111-65-9) + octyllithium (3314-49-6)

Guidance literature:

In tetrahydrofuran; at -78 ℃; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1021/jo01298a034

upstream raw materials:

n-chlorooctane

lithium 4,4′-di-tert-butylbiphenylide

lithium 1-naphthalenide

2,7-di-tert-butylnaphthalene

Downstream raw materials:

butoxy-dioctyl-borane

octyl-triphenyl-silane

tetra(octyl)silane

phenyltrioctylsilane