CID 16212562

Base Information

• Chemical Name: CID 16212562
• CAS No.: 555-24-8
• Molecular Formula: C6H5LiO
• Molecular Weight: 100.046
• Hs Code.: 29071100
• Mol file: 555-24-8.mol

Synonyms:SCHEMBL23002

Chemical Property of CID 16212562

Chemical Property:

• Appearance/Colour: brown liquid
• Vapor Pressure: 0.614mmHg at 25°C
• Melting Point: 476 °C
• Boiling Point: 181.8 °C at 760 mmHg
• Flash Point: 72.5 °C
• PSA: 23.06000
• Density: 0.92 g/mL at 20 °C
• LogP: 1.83040
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 101.05786824
• Heavy Atom Count: 8
• Complexity: 46.1

Purity/Quality:

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

Lithium phenoxide solution 1.0 M in THF ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [Li].C1=CC=C(C=C1)O

Technology Process of CID 16212562

There total 12 articles about CID 16212562 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:

phenol (108-95-2,27073-41-2) → lithium phenolate (555-24-8)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 25 ℃; Thermodynamic data; ΔH_dep;

Reference yield:

phenolate (3229-70-7,42428-36-4) → lithium phenolate (555-24-8)

Guidance literature:

With lithium cation; In water; dimethyl sulfoxide; at 25 ℃; Equilibrium constant;

DOI:10.1021/ja00341a041

Reference yield:

phenyl 2,2-dibromopropanoate → lithium phenolate (555-24-8) + lithium; propyn-1-olate

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 - 0 ℃; for 3.5h;

DOI:10.3987/COM-05-S(K)9

upstream raw materials:

phenolate

phenol

benzoic acid phenyl ester

phenyl 4-chlorobenzoate

Downstream raw materials:

n-butyl phenyl ether

C₂₄H₃₄NOP

(Dimethylphenoxysilyl)bis(trimethylsilyl)methyllithium

(Phenoxydiphenylsilyl)bis(trimethylsilyl)methan

Refernces

Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) complexes: Syntheses, reactions, and catalytic application

10.1021/om7012293

The research focuses on the synthesis, characterization, and catalytic application of tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) complexes. The study involves reacting tetrabenzo[a,c,g,i]fluorenyllithium with TiCl3 to form TbfTiCl2(THF), which is then converted to TbfTiCl3 through oxidative chlorination. Further reactions with lithium phenoxides yield a series of titanium complexes, TbfTiCl2(OAr). The complexes are characterized using IR, MS, NMR measurements, and X-ray crystallography. Additionally, the article describes the synthesis of titanium complexes with TEMPO and OtBu radicals. Ethylene polymerization experiments are conducted using d-MAO as a catalyst, with the activities of the compounds reported in terms of polymer production rates and molecular weights. The reactants used include various lithium phenoxides, TEMPO, and di-tert-butylperoxide, while analyses involve melting point determination, mass spectrometry, infrared spectroscopy, and elemental analysis.