(Trimethylsilyl)ethynyllithium

Base Information

• Chemical Name: (Trimethylsilyl)ethynyllithium
• CAS No.: 54655-07-1
• Molecular Formula: C5H9LiSi
• Molecular Weight: 104.153
• Hs Code.: 29310099
• European Community (EC) Number: 629-031-3
• DSSTox Substance ID: DTXSID00392412
• Mol file: 54655-07-1.mol

Synonyms:(Trimethylsilyl)ethynyllithium;54655-07-1;lithium;ethynyl(trimethyl)silane;lithium (trimethylsilyl)acetylide;Lithium, [(trimethylsilyl)ethynyl]-;lithium trimethylsilylacetylide;((Trimethylsilyl)ethynyl)lithium;lithium(trimethylsilyl)acetylide;lithio(trimethylsilyl)acetylene;DTXSID00392412;WDDOQHLJFOUQMW-UHFFFAOYSA-N;ZVXXEONXFWSCIZ-UHFFFAOYSA-N;MFCD00075059;AKOS000121171;AKOS015950607;?LITHIUM (TRIMETHYLSILYL)ACETYLIDE;Lithium (trimethylsilyl)acetylide, 0.5M in tetrahydrofuran;Lithium (Trimethylsilyl)Acetylide, 0.5M In Tetrahydrofuran (12-13 Wt %)

Chemical Property of (Trimethylsilyl)ethynyllithium

Chemical Property:

• Vapor Pressure: 273mmHg at 25°C
• Boiling Point: 53 °C at 760 mmHg
• Flash Point: −10 °F
• PSA: 0.00000
• Density: 0.829 g/mL at 25 °C
• LogP: 1.37400
• Storage Temp.: Flammables area
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.06335526
• Heavy Atom Count: 7
• Complexity: 82

Purity/Quality:

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

Lithium (trimethylsilyl)acetylide solution 0.5 M in THF ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F;C
• Hazard Codes: F,C,Xn
• Statements: 11-19-34-36/37/38-40
• Safety Statements: 16-26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].C[Si](C)(C)C#[C-]
• Uses: Reacts with halotriazines to produce conductive, anisotropic carbon-nitrogen materials.1 Reacts with halotriazines to produce conductive, anisotropic carbon-nitrogen materials.

Technology Process of (Trimethylsilyl)ethynyllithium

There total 8 articles about (Trimethylsilyl)ethynyllithium 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: 100.0%

Diphenyl-trimethylsilanylethynyl-arsane → lithium trimethylsilylacetylenide (54655-07-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at 0 ℃;

Reference yield: 87.0%

trimethylsilylacetylene (1066-54-2) → lithium trimethylsilylacetylenide (54655-07-1)

Guidance literature:

With n-butyllithium; In hexane; n-heptane; at 20 ℃; for 3h; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1021/acs.inorgchem.0c01244

Reference yield:

C4H9Li*C5H9SiLi → n-butyllithium (109-72-8,29786-93-4) + lithium trimethylsilylacetylenide (54655-07-1)

Guidance literature:

Equilibrium constant;

DOI:10.1021/ja0689334

upstream raw materials:

trimethylsilylacetylene

Bis(trimethylsilyl)ethyne

n-butyllithium

deutero-(trimethylsilyl)acetylene

Downstream raw materials:

(E)-3-hydroxy-1-phenyl-5-trimethylsilyl-1-penten-4-yne

3-phenyl-5-trimethylsilyl-4-pentynal

undec-1-yn-3-ol

3-methyl-1-nonyn-3-ol

Refernces

Synthesis and structure of 1,4,5,8-tetraethynylnaphthalene derivatives

10.1039/c2cc33740a

The research focuses on the synthesis and structural analysis of 1,4,5,8-tetraethynylnaphthalene derivatives (4a–c), which were synthesized for the first time. The study aimed to understand the steric repulsion reduction mechanisms in these overcrowded molecules with acetylene linkages. The experiments involved the use of various reactants, including lithium (trimethylsilyl)acetylide, 5,8-dibromo-1,4-naphthoquinone, SnCl2, and (trimethylsilyl)acetylene, among others, to synthesize the target compounds through a series of reactions like Sonogashira coupling. The synthesized compounds were characterized using X-ray crystallographic structure analysis, UV-Vis and fluorescence spectra, and DFT calculations to elucidate their structures and conformational behaviors. The analyses revealed three different modes of distortion—expanding of substituents, twisting of the naphthalene skeleton, and bending of acetylene units—to reduce steric repulsion, with the crystal structures being stabilized by intermolecular C–H?π interactions.

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