p-Fluorophenyl-p-tolylsulfone

Base Information

• Chemical Name: p-Fluorophenyl-p-tolylsulfone
• CAS No.: 1643-97-6
• Molecular Formula: C13H11 F O2 S
• Molecular Weight: 250.294
• Hs Code.: 2904100000
• European Community (EC) Number: 216-702-7
• NSC Number: 141020
• UNII: 6SZ48W3VEH
• DSSTox Substance ID: DTXSID40167742
• Nikkaji Number: J124.153B
• Wikidata: Q83037180
• Mol file: 1643-97-6.mol

Synonyms:1643-97-6;p-Fluorophenyl-p-tolylsulfone;Sulfone, p-fluorophenyl p-tolyl;Benzene, 1-fluoro-4-[(4-methylphenyl)sulfonyl]-;1-(4-fluorophenyl)sulfonyl-4-methylbenzene;1-fluoro-4-[(4-methylphenyl)sulphonyl]benzene;1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene;6SZ48W3VEH;p-Fluorophenyl p-tolyl sulfone;EINECS 216-702-7;NSC-141020;1-FLUORO-4-[(4-METHYLPHENYL)SULFONYL]BENZENE;1-Fluoro-4-((4-methylphenyl)sulfonyl)benzene;Benzene, 1-fluoro-4-((4-methylphenyl)sulfonyl)-;NSC141020;1-Fluoro-4-tosylbenzene;UNII-6SZ48W3VEH;SCHEMBL4792586;DTXSID40167742;4-FLUOROPHENYL P-TOLYL SULFONE;AKOS003630865;NSC 141020;4-Fluorophenyl 4-methylphenyl sulfone #;Benzene, 1-fluoro-4-[(4-methylphenyl)sulphonyl]-

Chemical Property of p-Fluorophenyl-p-tolylsulfone

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Boiling Point: 382.8°Cat760mmHg
• Flash Point: 185.3°C
• PSA: 42.52000
• Density: 1.262g/cm³
• LogP: 4.04770
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.04637893
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

1-Fluoro-4-[(4-methylbenzene)sulfonyl]benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F

Technology Process of p-Fluorophenyl-p-tolylsulfone

There total 28 articles about p-Fluorophenyl-p-tolylsulfone 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%

p-toluenesulfonyl chloride (98-59-9) → 1-fluoro-4-tosylbenzene (1643-97-6)

Guidance literature:

With potassium hydroxide; HF; In fluorobenzene; water;

Reference yield: 98.0%

tris(4-fluorophenyl)bismuthane (437-29-6) + sodium 4-methylbenzenesulfinate (824-79-3) → 1-fluoro-4-tosylbenzene (1643-97-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In toluene; at 80 ℃; for 15h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.organomet.1c00339

Reference yield: 91.0%

4-fluorobenzenediazonium tetrafluoroborate (459-45-0) + sodium 4-methylbenzenesulfinate (824-79-3) → 1-fluoro-4-tosylbenzene (1643-97-6)

Guidance literature:

With eosin; In water; acetonitrile; at 20 ℃; for 8h; Irradiation; Inert atmosphere;

DOI:10.1039/c9ob00864k

upstream raw materials:

fluorobenzene

Tosyl isocyanate

p-toluenesulfonyl chloride

4-Fluorobenzenesulfonyl chloride

Downstream raw materials:

C₁₃H₁₀ClFO₄S₂

Refernces

• 1、 Gong, Xinchi,Qu, Lingling,Shen, Zhengqi,Wang, Ganghu,Zhu, Chunyin. "Heterogeneous copper-catalyzed synthesis of diaryl sulfones". supporting information. p. 10662 - 10668. Retrieved 2021/12/27.
• 2、 Cheng, Lan,Guo, Jianbo,Li, Yufei,Liang, Xin,Wang, Qingmin,Xia, Qing,Zhang, Pei,Zhang, Weihua. "Visible-light-driven electron donor-acceptor complex induced sulfonylation of diazonium salts with sulfinates". supporting information. p. 8865 - 8870. Retrieved 2021/11/30.