Lithium cyclopentadienide

Base Information

• Chemical Name: Lithium cyclopentadienide
• CAS No.: 16733-97-4
• Molecular Formula: C5H5Li
• Molecular Weight: 72.0357
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID40555241
• Mol file: 16733-97-4.mol

Synonyms:LITHIUM CYCLOPENTADIENIDE;lithium;cyclopenta-1,3-diene;DTXSID40555241;Lithium cyclopenta-1,3-dien-1-ide;AKOS025294684

Chemical Property of Lithium cyclopentadienide

Chemical Property:

• PSA: 0.00000
• LogP: 1.45020
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 72.05512859
• Heavy Atom Count: 6
• Complexity: 72

Purity/Quality:

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

Lithium cyclopentadienide, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].C1C=CC=[C-]1
• Uses: Lithium cyclopentadienide is a useful reagent in preparing metallocenes and cyclopentadienyl derivatives. It is also used as intermediates and in chemical research.

Technology Process of Lithium cyclopentadienide

There total 7 articles about Lithium cyclopentadienide 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: 96.0%

cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → cyclopentadienyllithium (16733-97-4)

Guidance literature:

With n-butyllithium; In hexane; pentane; at 0 - 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.202002801

Reference yield: 92.0%

bis(pentamethylcyclopentadienyl)ytterbium(diethyl ether) + [Li(thf)Sn(2-C5H3N-3-Me)3] → lithium cyclopentadienide (16733-97-4) + [Yb{Sn(2-C5H3N-5-Me)3}2]

Guidance literature:

In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1039/c2dt31768k

Reference yield: 82.0%

[Eu(η5-C5Me5)2(OEt2)] + [{LiSn(2-C5H3N-5-Me)3}GaEt3]n → lithium cyclopentadienide (16733-97-4) + [Eu{Sn(2-C5H3N-5-Me)3GaEt3}2]

Guidance literature:

In toluene; at 20 ℃; Inert atmosphere;

DOI:10.1039/c2dt31768k

upstream raw materials:

n-butyllithium

cyclopenta-1,3-diene

N,N-dimethylaminomethylferrocene

lithium

Downstream raw materials:

(η5-cyclopentadienyl)ethylbis(triphenylphosphine)iron

(η5-cyclopentadienyl)(η2-ethylene)hydrido(triphenylphosphine)iron

{(η5-C5H5)(hydrido)(P(C6H5)3)2}Fe

cyclopentadienyltrimethyltin

Refernces

Mono(cyclopentadienyl)titanium complexes containing a sulfide-bridged bis(phenolato) ligand. Molecular structure of Ti{2,2′-S(OC₆H₂-4-Me-6-^tBu) ₂}(η⁵-C₅H₅)Cl

10.1016/S0022-328X(00)00846-9

The research focuses on the synthesis and characterization of titanium complexes containing a sulfur-bridged chelating bis(phenolato) ligand. The conclusions drawn from the study include the observation of a long titanium-sulfur bond length in the crystal structure of the chloro complex, which suggests a weaker interaction between the sulfur atom and the metal center compared to other titanium-thioether complexes. The research also demonstrated that the Ti(tbmp) fragment is stabilized by a cyclopentadienyl ligand, making alkylation of the remaining chloro function feasible. Key chemicals used in the process include cyclopentadienyl lithium, dichloro titanium complexes, and various alkylating reagents such as MgMeCl or Mg(CH2Ph)Cl.