2-Trifluoromethylphenyllithium

Base Information

• Chemical Name: 2-Trifluoromethylphenyllithium
• CAS No.: 49571-31-5
• Molecular Formula: C7H4F3Li
• Molecular Weight: 152.045
• DSSTox Substance ID: DTXSID40498164
• Mol file: 49571-31-5.mol

Synonyms:2-trifluoromethylphenyllithium;2-trifluoromethylphenyl-lithium;49571-31-5;o-trifluoromethylphenyllithium;SCHEMBL5396350;DTXSID40498164;KUHXNRINBJMEDI-UHFFFAOYSA-N;Lithium 2-(trifluoromethyl)benzen-1-ide

Chemical Property of 2-Trifluoromethylphenyllithium

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 152.04251305
• Heavy Atom Count: 11
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].C1=CC=C([C-]=C1)C(F)(F)F

Technology Process of 2-Trifluoromethylphenyllithium

There total 4 articles about 2-Trifluoromethylphenyllithium 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:

2-iodo(trifluoromethyl)benzene (444-29-1) → 2-(trifluoromethyl)phenyllithium (49571-31-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -70 ℃; for 1h;

Reference yield:

2',4'-dihydroxypropiophenone (5792-36-9) + o-trifluoromethylphenyl bromide (392-83-6) → 2-(trifluoromethyl)phenyllithium (49571-31-5)

Guidance literature:

With n-butyllithium; ammonium chloride; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

(4-trifluoromethylphenyl)lithium (2786-01-8) → 2-(trifluoromethyl)phenyllithium (49571-31-5)

Guidance literature:

In tetrahydrofuran; biphenyl; pentane; at -75.16 ℃; Equilibrium constant; Inert atmosphere;

DOI:10.1021/jo8020083

upstream raw materials:

2-iodo(trifluoromethyl)benzene

2',4'-dihydroxypropiophenone

o-trifluoromethylphenyl bromide

(4-trifluoromethylphenyl)lithium

Downstream raw materials:

4-hydroxy-4-(2-(trifluoromethyl)phenyl)cyclohexan-1-one

C₉H₁₀ClF₃NP

Methanesulfonic acid 4-(2-trifluoromethyl-phenyl)-cyclohex-3-enyl ester

2-fluorophenyl lithium

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