Fenson

Base Information

• Chemical Name: Fenson
• CAS No.: 80-38-6
• Molecular Formula: C12H9 Cl O3 S
• Molecular Weight: 268.721
• Hs Code.: 29089990
• European Community (EC) Number: 201-274-6
• NSC Number: 406662
• UNII: DFC2HB4I0K
• DSSTox Substance ID: DTXSID6041973
• Nikkaji Number: J4.249H
• Wikidata: Q22807557
• ChEMBL ID: CHEMBL1495617
• Mol file: 80-38-6.mol

Synonyms:4-chlorophenyl benzenesulfonate;fenson;p-chlorophenyl benzenesulfonate

Chemical Property of Fenson

Chemical Property:

• Melting Point: 62℃
• Boiling Point: 407.0±37.0 °C(Predicted)
• Flash Point: >100 °C
• PSA: 51.75000
• Density: 1.33 g/cm3
• LogP: 4.18850
• Storage Temp.: 0-6°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.9960930
• Heavy Atom Count: 17
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Fenson ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-36-51/53
• Safety Statements: 24-26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl

Technology Process of Fenson

There total 9 articles about Fenson 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%

sodium benzenesulfonate (873-55-2) + 4-chloro-phenol (106-48-9,82344-39-6) → fenson (80-38-6)

Guidance literature:

In water; acetonitrile; at 20 ℃; for 2h; Electrochemical reaction;

DOI:10.1021/acs.joc.1c00260

Reference yield: 95.0%

4-chloro-phenol (106-48-9,82344-39-6) + benzenesulfonyl chloride (98-09-9) → fenson (80-38-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b00552

Reference yield: 88.0%

1-(phenylsulfonyl)-1H-benzo[d][1,2,3]triazole (4106-18-7) + 4-chloro-phenol (106-48-9,82344-39-6) → fenson (80-38-6)

Guidance literature:

With 1-methyl-1H-imidazole; In toluene; for 30h; Heating;

DOI:10.1080/00397919408013820

upstream raw materials:

phenyl benzenesulfonate

4-chloro-phenol

benzenesulfonyl chloride

1-(phenylsulfonyl)-1H-benzo[d][1,2,3]triazole

Downstream raw materials:

N-(4-chlorophenyl)benzylamine

N-benzylbenzenesulfonamide

4-chloro-phenol

benzenesulfonic acid

Refernces

• 1、 Ma, Jinfeng,Xu, Pan,Zhong, Zijian,Zhou, Aihua. "Electrochemical cross-coupling reactions of sodium arenesulfinates with thiophenols and phenols". supporting information. . Retrieved 2021/10/26.
• 2、 Ge, Qian-Qian,Qian, Jia-Sheng,Xuan, Jun. "Electron Donor-Acceptor Complex Enabled Decarboxylative Sulfonylation of Cinnamic Acids under Visible-Light Irradiation". . p. 8691 - 8701. Retrieved 2019/08/30.