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4-Fluorobenzenediazonium tetrafluoroborate is a reagent used in radical fluoroarylation reactions, particularly in radiochemical synthesis, to introduce a 4-fluorophenyl group into olefins and other substrates. It serves as a precursor for generating 4-[18F]fluorobenzenediazonium ions, enabling the efficient synthesis of 18F-labeled compounds such as stilbenes with moderate to high radiochemical yields. 4-FLUOROBENZENEDIAZONIUM TETRAFLUOROBORATE is typically employed with a reductant like titanium(III) chloride under acidic conditions, demonstrating utility in the preparation of radiopharmaceuticals with deactivated aromatic systems.

459-45-0

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459-45-0 Usage

Chemical Description

4-fluorobenzenediazonium tetrafluoroborate is a diazonium salt used as a precursor for the synthesis of radiopharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 459-45-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,5 and 9 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 459-45:
(5*4)+(4*5)+(3*9)+(2*4)+(1*5)=80
80 % 10 = 0
So 459-45-0 is a valid CAS Registry Number.

459-45-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Fluorobenzenediazonium Tetrafluoroborate

1.2 Other means of identification

Product number -
Other names 4-fluorobenzenediazonium,trifluoroborane,fluoride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:459-45-0 SDS

459-45-0Relevant academic research and scientific papers

High-Yield Preparation of Exfoliated 1T-MoS2 with SERS Activity

Er, Engin,Hou, Hui-Lei,Criado, Alejandro,Langer, Judith,M?ller, Marco,Erk, Nevin,Liz-Marzán, Luis M.,Prato, Maurizio

, p. 5725 - 5734 (2019)

Molybdenum disulfide (MoS2), a promising two-dimensional transition-metal dichalcogenide, presents a challenge in the tuning of its optoelectronic and chemical properties. Herein, we demonstrate an efficient route to alter the crystalline structure of MoS2 by chemical exfoliation. Using NaK metal alloys, exfoliated and covalently functionalized MoS2 derivatives were obtained with a high metallic (1T) phase ratio, up to 94.5%. Consequently, exfoliated MoS2 showed a significant surface-enhanced Raman scattering activity toward rhodamine 6G (R6G) and crystal violet, with low detection limits. The versatility of this approach allows the covalent functionalization of MoS2 without relying on edge or basal-plane defects of the structure and preserving the high-ratio 1T phase.

A Radical Chain: Mononuclear “Gold Only” Photocatalysis

Witzel, Sina,Hoffmann, Marvin,Rudolph, Matthias,Rominger, Frank,Dreuw, Andreas,Hashmi, A. Stephen K.

supporting information, p. 581 - 592 (2021/12/06)

We herein report an unprecedented reactivity of mononuclear gold catalysts acting as classical catalysts and at the same time as active partners in a radical chain mechanism, whereby gold is the only catalyst. The mechanism of the photo-induced photosensitizer-free “gold only”-catalyzed cross coupling was studied in detail – experimentally and theoretically – based on the reaction between arylboronic acids and aryldiazonium salts. With a systematic set of stoichiometric experiments under various conditions and analytic methods, we could show that this mechanism is initiated by an aryl radical formed in the presence of blue LEDs and MeOH. This aryl radical enters the catalytic cycle to oxidize gold(I) to gold(II). Single electron transfer from gold(II) to the aryldiazonium salt then gives the cationic gold(III) complex by formation of a chain-supporting aryl radical which then is enabled to start a new cycle by oxidation of gold(I) without the need for irradiation. At least every 432 cycles of the radical chain, a new chain-initiating radical has to restart the radical chain. Eventually, the boronic acid is activated by the BF4? anion to transmetalate to gold(III), and reductive elimination delivers the desired product.

Metal-Free Visible-Light Synthesis of Arylsulfonyl Fluorides: Scope and Mechanism

Chelagha, Aida,Khrouz, Lhoussain,Louvel, Dan,Monnereau, Cyrille,Payard, Pierre-Adrien,Rouillon, Jean,Tlili, Anis

supporting information, p. 8704 - 8708 (2021/05/17)

The first metal-free procedure for the synthesis of arylsulfonyl fluorides is reported. Under organo-photoredox conditions, aryl diazonium salts react with a readily available SO2 source (DABSO) to afford the desired product through simple nucleophilic fluorination. The reaction tolerates the presence of both electron-rich and -poor aryls and demonstrated a broad functional group tolerance. To shed the light on the reaction mechanism, several experimental techniques were combined, including fluorescence, NMR, and EPR spectroscopy as well as DFT calculations.

Aryl Diazonium Salts: Powerful Arylating Agents for Catellani-Typeortho-Arylation

Fu, Ying,Guo, Liang-Liang,Zhang, Yu-Xia

supporting information, p. 17437 - 17444 (2021/12/02)

The Catellani reaction provides an efficient synthetic approach to polyfunctionalized arenes. However, the selectiveortho-arylating reagents employed in these reactions have been strictly limited to activated bromoarenes. As demonstrated in this work, aryl diazonium salts bearing both electron-donating and electron-withdrawing substituents, after in situ transformations with KI into the corresponding iodoarenes, were efficient arylating reagents for Catellani typeortho-arylation approaches.

Aqueous and Visible-Light-Promoted C-H (Hetero)arylation of Uracil Derivatives with Diazoniums

Liu, An-Di,Wang, Zhao-Li,Liu, Li,Cheng, Liang

, p. 16434 - 16447 (2021/11/16)

Direct C5 (hetero)arylation of uracil and uridine substrates with (hetero)aryl diazonium salts under photoredox catalysis with blue light was reported. The coupling proceeds efficiently with diazonium salts and heterocycles in good functional group tolerance at room temperature in aqueous solution without transition-metal components. A plausible radical mechanism has been proposed.

Heterogeneous visible-light-induced Meerwein hydration reaction of alkenes in water using mpg-C3N4 as a recyclable photocatalyst

Wang, Jingjing,Xue, Linshuang,Hong, Mei,Ni, Bangqing,Niu, Tengfei

supporting information, p. 411 - 416 (2020/02/13)

A green and efficient visible light induced Meerwein hydration reaction of alkenes in aqueous medium using mpg-C3N4 as a recyclabe photocatalyst has been disclosed. This protocol provides a direct approach for the preparation of racemic alcohols via a free radical mechanism. Water acted as both a solvent and a reagent without any additives or co-solvents. The metal-free heterogeneous semiconductor is found to be fully recyclable at least 5 times without any significant reduction in activity. The Meerwein hydration reaction has an excellent substrate scope and gave the desired products in moderate to high yields. Furthermore, this reaction could be carried out under solar light irradiation and is applicable for large-scale reactions with satisfactory results.

Fluorosulfonylation of arenediazonium tetrafluoroborates with Na2S2O5 and N-fluorobenzenesulfonimide

Huang, Yangen,Liu, Shuai,Qing, Feng-Ling,Xu, Xiu-Hua

, (2020/10/18)

A transition-metal-free Sandmeyer-type fluorosulfonylation reaction has been achieved by the three-component reaction of arenediazonium tetrafluoroborates, Na2S2O5, and N-fluorobenzenesulfonimide (NFSI). The reaction proceeds through a radical tandem process, affording various arenesulfonyl fluorides in moderate to high yields. This protocol not only provides a complement to the previous fluorosulfonylation reactions, but also extends the applications of Sandmeyer reaction.

Highly Efficient Synthesis of Hindered 3-Azoindoles via Metal-Free C-H Functionalization of Indoles

Guillemard, Lucas,Jacob, Nicolas,Wencel-Delord, Joanna

supporting information, p. 574 - 580 (2020/02/13)

Although 3-azoindoles have recently emerged as an appealing family of photoswitch molecules, the synthesis of such compounds has been poorly covered in the literature. Herein a high-yielding and operationally simple protocol is reported allowing the synthesis of 3-azoindoles, featuring important steric hindrance around the azo motif. Remarkably, this C-H coupling is characterized by excellent atom economy and occurs under metal-free conditions, at room temperature, and within few minutes, delivering the expected products in excellent yields (quantitatively in most of the cases). Accordingly, a library of new molecules, with potential applications as photochromic compounds, is prepared.

Copper-mediated tandem ring-opening/cyclization reactions of cyclopropanols with aryldiazonium salts: Synthesis of: N -arylpyrazoles

Liu, Jidan,Xu, Erjie,Jiang, Jinyuan,Huang, Zeng,Zheng, Liyao,Liu, Zhao-Qing

supporting information, p. 2202 - 2205 (2020/02/26)

A general method for the synthesis of structurally diverse N-arylpyrazoles from readily available cyclopropanols and aryldiazonium salts is disclosed. The reaction was conducted at room temperature within minutes with a broad substrate scope and excellent regioselectivity.

Discovery and structure-activity relationship studies of 1-aryl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione derivatives as potent dual inhibitors of indoleamine 2,3-dioxygenase 1 (IDO1) and trytophan 2,3-dioxygenase (TDO)

Pan, Shulei,Zhou, Yangli,Wang, Qiusheng,Wang, Yanlin,Tian, Chenyu,Wang, Tianqi,Huang, Luyi,Nan, Jinshan,Li, Linli,Yang, Shengyong

, (2020/09/01)

Indoleamine 2,3-dioxygenase 1 (IDO1) and tryptophan 2,3-dioxygenase (TDO), which mediate kynurenine pathway of tryptophan degradation, have emerged as potential new targets in immunotherapy for treatment of cancer because of their critical role in immunosuppression in the tumor microenvironment. In this investigation, we report the structural optimization and structure-activity relationship studies of 1-phenyl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione derivatives as a new class of IDO1/TDO dual inhibitors. Among all the obtained dual inhibitors, 1-(3-chloro-4-fluorophenyl)-6-fluoro-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione (38) displayed the most potent IDO1 and TDO inhibitory activities with IC50 (half-maximal inhibitory concentration) values of 5 nM for IDO1 and 4 nM for TDO. It turned out that compound 38 was not a PAINS compound. Compound 38 could efficiently inhibit the biofunction of IDO1 and TDO in intact cells. In LL2 (Lewis lung cancer) and Hepa1-6 (hepatic carcinoma) allograft mouse models, this compound also showed considerable in vivo anti-tumor activity and no obvious toxicity was observed. Therefore, 38 could be a good lead compound for cancer immunotherapy and deserving further investigation.

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