Fluoresone

Base Information

• Chemical Name: Fluoresone
• CAS No.: 2924-67-6
• Molecular Formula: C8H9 F O2 S
• Molecular Weight: 188.223
• Hs Code.: 2904909090
• European Community (EC) Number: 220-889-0
• UNII: 343BH0S0XR
• DSSTox Substance ID: DTXSID10183494
• Nikkaji Number: J7.940E
• Wikidata: Q27256326
• NCI Thesaurus Code: C65724
• Metabolomics Workbench ID: 144665
• ChEMBL ID: CHEMBL93309
• Mol file: 2924-67-6.mol

Synonyms:fluoresone

Chemical Property of Fluoresone

Chemical Property:

• Vapor Pressure: 0.00131mmHg at 25°C
• Melting Point: 41°
• Boiling Point: 307.5°C at 760 mmHg
• Flash Point: 139.8°C
• PSA: 42.52000
• Density: 1.238g/cm³
• LogP: 2.70010
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.03072886
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

98%Min ^*data from raw suppliers

1-(ethanesulfonyl)-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=CC=C(C=C1)F

Technology Process of Fluoresone

There total 14 articles about Fluoresone 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: 95.0%

1-(Ethylthio)-4-fluorobenzene (2924-75-6) → fluoresone (2924-67-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; at 20 ℃; for 4h;

Reference yield: 76.0%

4-fluorobenzenesulfinic acid lithium salt + ethyl iodide (75-03-6) → fluoresone (2924-67-6) + 4-fluorobenzenesulfinic acid ethyl ester (125568-47-0)

Guidance literature:

With tetrabutylammomium bromide; In water; acetone; toluene; at 80 - 85 ℃; for 24h;

DOI:10.1021/jo051942v

Reference yield: 63.0%

ethyl bromide (74-96-4) + 4-Fluorobenzenesulfonyl chloride (349-88-2) → fluoresone (2924-67-6)

Guidance literature:

4-Fluorobenzenesulfonyl chloride; With disodium hydrogenphosphate; sodium sulfite; In water; at 60 ℃;

ethyl bromide; With tetra-(n-butyl)ammonium iodide; In water; acetone; at 20 ℃; for 120h;

upstream raw materials:

1-(Ethylthio)-4-fluorobenzene

1-(ethylsulfonyl)-4-chlorobenzene

sodium 4-fluorobenzenesulfinate

ethyl iodide

Downstream raw materials:

[4-(4-ethanesulfonyl-phenoxy)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid methyl ester

4-(ethylsulfonyl)-1-fluoro-2-nitrobenzene

bis(4-ethanesulfonyl-benzene)disulfide

Refernces

• 1、 -. "PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 0742-0743. . Retrieved 2020/05/14.
• 2、 -. "BROMODOMAIN INHIBITORS". Paragraph 00267. . Retrieved 2018/04/27.