((Difluoromethyl)sulfonyl)benzene

Base Information

• Chemical Name: ((Difluoromethyl)sulfonyl)benzene
• CAS No.: 1535-65-5
• Molecular Formula: C7H6F2O2S
• Molecular Weight: 192.186
• Hs Code.: 29309090
• European Community (EC) Number: 802-873-0
• DSSTox Substance ID: DTXSID60473498
• Nikkaji Number: J680.691K
• Wikidata: Q72463453
• Mol file: 1535-65-5.mol

Synonyms:difluoromethyl phenyl sulfone

Chemical Property of ((Difluoromethyl)sulfonyl)benzene

Chemical Property:

• Melting Point: 24-25℃
• Refractive Index: 1.5000
• Boiling Point: 289.547 °C at 760 mmHg
• Flash Point: 128.914 °C
• PSA: 42.52000
• Density: 1.349 g/cm³
• LogP: 2.76370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in chloroform and water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.00565693
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

Difluoromethyl Phenyl Sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)F
• Uses: Efficient reagent for difluoromethylation of carbonyls and aldehydes. Difluoromethyl Phenyl Sulfone has been used as a reagent for the nucleophilic difluoro(phenylsulfonyl)methylation of carbonyls

Technology Process of ((Difluoromethyl)sulfonyl)benzene

There total 27 articles about ((Difluoromethyl)sulfonyl)benzene 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: 99.0%

difluoromethyl phenyl sulfide (1535-67-7) → difluoromethyl phenyl sulfone (1535-65-5)

Guidance literature:

With sodium periodate; RuCl*2H₂O; In tetrachloromethane; water; acetonitrile; at 0 - 20 ℃; for 1.5h;

DOI:10.1002/anie.201309875

Reference yield: 89.0%

1,1,1,3,3-pentafluoro-3-(phenylsulfonyl)propane-2,2-diol → difluoromethyl phenyl sulfone (1535-65-5)

Guidance literature:

With water; triethylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2016.12.018

Reference yield: 87.0%

Chlorodifluoromethane (75-45-6) + sodium benzenesulfonate (873-55-2) → difluoromethyl phenyl sulfone (1535-65-5)

Guidance literature:

With triethylamine; sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 5h; Reagent/catalyst; Solvent; Temperature; Sealed tube;

upstream raw materials:

difluoromethyl phenyl sulfide

Chlorodifluoromethane

sodium benzenesulfonate

2,2-difluoro-2-(fluorosulfonyl)acetic acid

Downstream raw materials:

difluoromethyl methyl ether

difluoromethyl phenyl sulfide

Benzenesulfinic acid

(2-furyl)methyl alcohol

Refernces

Stereoselective synthesis of α-difluoromethyl-β-amino alcohols via nucleophilic difluoromethylation with Me₃SiCF₂SO₂Ph

10.1016/j.tetlet.2008.01.034

The researchers discovered that the solvent significantly influences the diastereoselectivity, with apolar solvents like toluene enhancing the reaction's selectivity. The synthesized anti-a-(difluoromethyl)-β-amino alcohols, exemplified by compound 3a, were demonstrated to be valuable synthetic intermediates for the preparation of difluoromethylated oxazolidinones, such as compound 9. Key chemicals used in the process include Me3SiCF2SO2Ph, LHMDS, TBAT, TBAF, and various substrates like homochiral α-amino aldehydes and difluoromethyl phenyl sulfone (PhSO2CF2H). The research concludes that the developed method provides a facile synthesis of these valuable compounds, with the solvent playing a crucial role in controlling the reaction's diastereoselectivity.

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