4-Iodobenzenesulfonyl fluoride

Base Information

• Chemical Name: 4-Iodobenzenesulfonyl fluoride
• CAS No.: 4241-66-1
• Molecular Formula: C6H4FIO2S
• Molecular Weight: 286.065
• NSC Number: 30628
• DSSTox Substance ID: DTXSID80283238
• Nikkaji Number: J3.296.821J
• Wikidata: Q82017737
• Mol file: 4241-66-1.mol

Synonyms:4-iodobenzenesulfonyl fluoride;4241-66-1;4-iodobenzene-1-sulfonyl fluoride;4-Iodobenzenesulphonyl fluoride;NSC30628;C6H4FIO2S;4-Iodophenylsulfonyl fluoride;p-iodobenzenesulfonyl fluoride;4-iodo-Benzenesulfonyl fluorie;SCHEMBL6103050;4-iodobenzene-1-sulfonylfluoride;DTXSID80283238;ATWMMWPERDAQSC-UHFFFAOYSA-N;MFCD16619640;NSC-30628;AKOS016015398;ES-2149;CS-0133613;E84899;EN300-134721;Z1269193258

Chemical Property of 4-Iodobenzenesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 0.00824mmHg at 25°C
• Boiling Point: 276.1°Cat760mmHg
• Flash Point: 120.8°C
• Density: 2.011g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 285.89608
• Heavy Atom Count: 11
• Complexity: 213

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)F)I

Technology Process of 4-Iodobenzenesulfonyl fluoride

There total 5 articles about 4-Iodobenzenesulfonyl fluoride 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: 96.0%

p-Iodobenzenesulfonyl chloride (98-61-3) → 4-Iodobenzenesulphonyl Fluoride (4241-66-1)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In acetonitrile; at 20 ℃; for 18h;

Reference yield: 59.0%

2-(4-iodophenyl)hydrazin-1-ium chloride (62830-55-1) → 4-Iodobenzenesulphonyl Fluoride (4241-66-1)

Guidance literature:

With pyridine; copper (II) carbonate hydroxide; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; N-fluorobis(benzenesulfon)imide; In acetonitrile; at 40 ℃; for 2h; Sealed tube; Inert atmosphere;

DOI:10.1039/d1ob01697k

Reference yield: 54.0%

4-iodobenzenesulfonyl hydrazide (2751-27-1) → 4-Iodobenzenesulphonyl Fluoride (4241-66-1)

Guidance literature:

With Selectfluor; In water; at 60 ℃; for 14h; Schlenk technique;

DOI:10.1039/c5gc02755a

upstream raw materials:

p-Iodobenzenesulfonyl chloride

4-iodobenzenesulfonyl hydrazide

p-aminoiodobenzene

4-iodobenzenediazonium tetrafluoroborate

Downstream raw materials:

4-(1,2-dimethylimidazol-5-yl)-2-(4-(fluorosulphonyl)anilino)pyrimidine

1,4-Benzoldisulfonylfluorid

1-iodo-4-((trifluoromethyl)sulfonyl)benzene

Refernces

• 1、 Chen, Qing-Yun,Guo, Yong,Hu, Xiaojun,Liu, Chao,Liu, Yongan,Ma, Xiaoyu,Pan, Qijun,Pang, Wan,Wu, Jingjing. "Copper-catalyzed three-component reaction of arylhydrazine hydrochloride, DABSO, and NFSI for the synthesis of arenesulfonyl fluorides". supporting information. p. 8999 - 9003. Retrieved 2021/11/04.
• 2、 Tang, Lin,Yang,Wen, Lixian,Yang, Xingkun,Wang, Zhiyong. "Catalyst-free radical fluorination of sulfonyl hydrazides in water". . p. 1224 - 1228. Retrieved 2016/03/09.