Benzenesulfonic acid, 4-fluoro-, 4-acetylphenyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, 4-fluoro-, 4-acetylphenyl ester
• CAS No.: 123412-35-1
• Molecular Formula: C14H11FO4S
• Molecular Weight: 294.303
• DSSTox Substance ID: DTXSID00473270
• Nikkaji Number: J274.547J
• Wikidata: Q82302575
• Mol file: 123412-35-1.mol

Synonyms:Benzenesulfonic acid, 4-fluoro-, 4-acetylphenyl ester;123412-35-1;DTXSID00473270;AKOS008677475

Chemical Property of Benzenesulfonic acid, 4-fluoro-, 4-acetylphenyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 294.03620816
• Heavy Atom Count: 20
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Technology Process of Benzenesulfonic acid, 4-fluoro-, 4-acetylphenyl ester

There total 1 articles about Benzenesulfonic acid, 4-fluoro-, 4-acetylphenyl ester 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: 90.0%

4-Fluorobenzenesulfonyl chloride (349-88-2) + 4-Hydroxyacetophenone (99-93-4) → 4-<<(4-fluorophenyl)sulfonyl>oxy>-1-acetophenone (123412-35-1)

Guidance literature:

DOI:10.1021/jo00288a062

Reference yield: 96.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + 4-<<(4-fluorophenyl)sulfonyl>oxy>-1-acetophenone (123412-35-1) → ethyl-4-acetylbenzoate (38430-55-6)

Guidance literature:

With Josiphos Et₂P-Fc-PtBu₂ ligand; sodium acetate; palladium diacetate; at 130 - 135 ℃; for 20h; under 2068.59 Torr;

DOI:10.1021/ol062208g

Reference yield: 93.0%

4-<<(4-fluorophenyl)sulfonyl>oxy>-1-acetophenone (123412-35-1) → acetophenone (98-86-2)

Guidance literature:

With triethylammonium formate; palladium diacetate; 1,3-bis-(diphenylphosphino)propane; In N,N-dimethyl-formamide; at 90 ℃; for 3.5h; Product distribution;

DOI:10.1021/jo00288a062

upstream raw materials:

4-Fluorobenzenesulfonyl chloride

4-Hydroxyacetophenone

Downstream raw materials:

1-(4-vinylphenyl)ethanone

4-Hydroxyacetophenone

4-acetyl-trans-stilbene

1-(4-allylphenyl)ethanone

Refernces

• 1、 Yarishkin, Oleg V.,Ryu, Hyung Won,Park, Jae-Yong,Yang, Min Suk,Hong, Seong-Geun,Park, Ki Hun. "Sulfonate chalcone as new class voltage-dependent K+ channel blocker". . p. 137 - 140. Retrieved 2008/09/16.
• 2、 Percec, Virgil,Bae, Jin-Young,Zhao, Mingyang,Hill, Dale H.. "Aryl Mesylates in Metal-Catalyzed Homocoupling and Cross-Coupling Reactions. 1. Functional Symmetrical Biaryls from Phenols via Nickel-Catalyzed Homocoupling of Their Mesylates". . p. 176 - 185. Retrieved 2007/10/02.