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:

diphenyl phenylphosphonate

2-fluoro-1-nitro-4-phenoxy-benzene

4-fluoro-1-nitro-2-phenoxybenzene

5-fluoro-2-nitroaniline

Refernces

• 1、 Hevia, Eva,Kennedy, Alan R.,Klett, Jan,McCall, Matthew D.. "Direct lateral metallation using alkali-metal mediated zincation (AMMZn): SiC-H vs.Si-O bond cleavage". scheme or table. p. 3240 - 3242. Retrieved 2009/12/01.
• 2、 Leung,Streitwieser. "The role of aggregates in claisen acylation reactions of two lithium enolates in THF [8]". . p. 10557 - 10558. Retrieved 2007/10/03.