Lithium 2,2-difluoro-1-[(4-methylbenzene-1-sulfonyl)oxy]ethen-1-ide

Base Information

• Chemical Name: Lithium 2,2-difluoro-1-[(4-methylbenzene-1-sulfonyl)oxy]ethen-1-ide
• CAS No.: 93523-64-9
• Molecular Formula: C₉H₇F₂LiO₃S
• Molecular Weight: 240.157
• DSSTox Substance ID: DTXSID90540682
• Mol file: 93523-64-9.mol

Synonyms:93523-64-9;DTXSID90540682;Lithium 2,2-difluoro-1-[(4-methylbenzene-1-sulfonyl)oxy]ethen-1-ide;2,2-difluoro-1-tosyloxyvinyl-lithium

Chemical Property of Lithium 2,2-difluoro-1-[(4-methylbenzene-1-sulfonyl)oxy]ethen-1-ide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 240.02440001
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].CC1=CC=C(C=C1)S(=O)(=O)O[C-]=C(F)F

Technology Process of Lithium 2,2-difluoro-1-[(4-methylbenzene-1-sulfonyl)oxy]ethen-1-ide

There total 1 articles about Lithium 2,2-difluoro-1-[(4-methylbenzene-1-sulfonyl)oxy]ethen-1-ide 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:

2,2,2-Trifluoroethyl p-toluenesulfonate (433-06-7) → 2,2-difluoro-1-tosyloxyvinyllithium (93523-64-9)

Guidance literature:

With n-butyllithium; hexane; In tetrahydrofuran; at -78 ℃; for 0.666667h;

DOI:10.1016/S0040-4020(01)85658-1

Reference yield: 71.0%

phenylacetaldehyde (122-78-1) + 2,2-difluoro-1-tosyloxyvinyllithium (93523-64-9) → Toluene-4-sulfonic acid 1-difluoromethylene-2-hydroxy-3-phenyl-propyl ester (100699-92-1)

Guidance literature:

DOI:10.1016/S0040-4039(00)98856-7

Reference yield:

2,2-difluoro-1-tosyloxyvinyllithium (93523-64-9) → (Z)-3,3-Difluoro-6-phenyl-4-(toluene-4-sulfonyloxy)-hex-4-enoic acid methyl ester (100699-93-2,100757-97-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent

2: propionic acid / 1.5 h / 120 °C

In propionic acid;

DOI:10.1016/S0040-4039(00)98856-7

upstream raw materials:

2,2,2-Trifluoroethyl p-toluenesulfonate

Downstream raw materials:

Toluene-4-sulfonic acid 1-difluoromethylene-2-hydroxy-3-phenyl-propyl ester

2-butyl-3,3-difluoro-1-phenyl-prop-2-en-1-one

2-butyl-1-cyclohexyl-3,3-difluoro-2-propen-1-one

(Z)-3,3-Difluoro-6-phenyl-4-(toluene-4-sulfonyloxy)-hex-4-enoic acid methyl ester