852469-75-1

Basic information

• Product Name: 1-Methoxy-4-(pentafluorosulfanyl)benzene
• Synonyms: 1-Methoxy-4-(pentafluorosulfanyl)benzene;Sulfur, pentafluoro(4-methoxyphenyl)-, (OC-6-21)- (9CI);1-Methoxy-5-(pentafluorosulfanyl)benzene
• CAS NO: 852469-75-1
• Molecular Formula: C7H7F5OS
• Molecular Weight: 234.186896
• Mol File: 852469-75-1.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-Methoxy-4-(pentafluorosulfanyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methoxy-4-(pentafluorosulfanyl)benzene(852469-75-1)
• EPA Substance Registry System: 1-Methoxy-4-(pentafluorosulfanyl)benzene(852469-75-1)

Safety Data

• Hazardous Substances Data: 852469-75-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Methoxy-4-(pentafluorosulfanyl)benzene is used as an intermediate in the synthesis of pharmaceuticals for its ability to enhance the stability and solubility of drug molecules. Its unique structure allows for the development of new drugs with improved properties, such as increased bioavailability and targeted delivery.
Used in Agrochemical Industry:
In the agrochemical industry, 1-Methoxy-4-(pentafluorosulfanyl)benzene is used as a building block in the synthesis of agrochemicals, such as pesticides and herbicides. Its stability and reactivity contribute to the development of more effective and environmentally friendly products.
Used in Materials Science:
1-Methoxy-4-(pentafluorosulfanyl)benzene is utilized in materials science for the development of new materials with specific properties. Its chemical and thermal stability, along with its solubility in organic solvents, make it suitable for use in the creation of advanced materials for various applications, such as coatings, adhesives, and polymers.
Overall, 1-Methoxy-4-(pentafluorosulfanyl)benzene is a versatile compound with a wide range of potential uses in various industries, including pharmaceuticals, agrochemicals, and materials science. Its unique properties, such as enhanced stability and solubility, make it a valuable building block in organic synthesis and a promising candidate for the development of new products and technologies.

Upstream product

• 774-94-7 4-(pentafluoro-λ⁶-sulfaneyl)phenol 
• 616-38-6 carbonic acid dimethyl ester 
• 2613-27-6 1-nitro-4-(pentafluorosulfanyl)benzene 
• 124-41-4 sodium methylate 
• 67-56-1 methanol 
• 1605274-62-1 4-(pentafluoro-λ⁶-sulfaneyl)benzenediazonium tetrafluoroborate 
• 2993-24-0 4-(pentafluorosulfanyl)aniline 
• 74-88-4 methyl iodide 

Relevant articles and documents

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Five sulfur hexafluoride substituted benzo-type compounds and use thereof

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UREA DERIVATIVE AND USE THEREFOR

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UREA DERIVATIVE AND USE THEREFOR

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Pentafluorosulfanyl-Substituted Benzopyran Analogues As New Cyclooxygenase-2 Inhibitors with Excellent Pharmacokinetics and Efficacy in Blocking Inflammation

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Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs and their application for the preparation of SF5-aromatics

4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate salt was synthesized and isolated. The pentafluorosulfanyl salt was examined in a wide assortment of reactions to form novel SF5-bearing alkenes, alkynes, and biaryl derivatives using Heck-Matsuda, Sonogashira, and Suzuki coupling protocols. Dediazoniation of the salt furnished the corresponding p-SF5—C6H4X,C6H4OS(O)(CF3)═NSO2CF3, and p-SF5—C6H4-NTf2 derivatives. The azide derivative p-SF5—C6H4N3 entered into click chemistry with phenylacetylenes to furnish the corresponding triazoles. Various SF5-bearing alkenes were synthesized by coupling reactions using a metal catalyst. Fluorodediazoniation selectively furnished the fluoro derivative p-SF5—C6H4F. Homolytic dediazoniation gave the unsymmetrical biaryls, thus demonstrating the broad utility of pentafluorosulfanyl diazonium salts as building blocks of SF5-aromatics that are in high demand in many branches of chemistry including biomedicine and materials chemistry.

4-(Pentafluorosulfanyl)benzenediazonium Tetrafluoroborate: A Versatile Launch Pad for the Synthesis of Aromatic SF5 Compounds via Cross Coupling, Azo Coupling, Homocoupling, Dediazoniation, and Click Chemistry

The reagent 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate (1) was synthesized and isolated as a stable salt for the first time; its application in a wide assortment of transformations was subsequently investigated. A series of novel SF5-bearing alkenes, alkynes, and biaryl derivatives were synthesized by employing Heck-Matsuda, Sonogashira, and Suzuki coupling protocols. Dediazoniation with TMSX (X = Hal; N3; and CN) and NH4SCN in [BMIM][BF4] as solvent furnished the corresponding p-SF5-C6H4X derivatives. The azide derivative p-SF5-C6H4N3 entered into click chemistry with phenylacetylenes to furnish the corresponding triazoles. The 4,4′-bis(pentafluorosulfanyl)biphenyl was synthesized by homo-coupling using Pd(OAc)2. The corresponding azo compounds were obtained through azo-coupling with reactive aromatic nucleophiles (1,3-dimethoxybenzene, 1,3,5-trimethoxybenzene, 1,2,4-trimethoxybenzene, aniline and phenol). Fluorodediazoniation in [BMIM][PF6] and [BMIM][BF 4] selectively furnished the fluoro derivative p-SF 5-C6H4F. Dediazoniation in [BMIM][NTf 2] gave p-SF5-C6H4OS(O)(CF 3)=NSO2CF3 as the major and p-SF 5-C6H4-NTf2 as the minor products. Homolytic dediazoniation in MeCN/NaI gave the unsymmetrical biaryls p-SF 5-C6H4-Ar (ArH = mesitylene and p-xylene) along with p-SF5-C6H4I. Analysis of the dediazoniation product mixtures indicated that dediazoniation of p-SF 5-C6H4N2+ BF 4- in low nucleophilicity, highly ionizing, solvents (TfOH, TFE, HFIP, TFAH) is mainly heterolytic, while in MeOH it is mainly homolytic. The isodesmic reaction p-SF5-C6H 4+ + R-C6H5 → SF 5-C6H5 + p-R-C6H4 + (with R = NO2, CF3, H) was gauged by DFT at various levels and by PCM. Copyright

4-(Pentafluorosulfanyl)benzenediazonium Tetrafluoroborate: A Versatile Launch Pad for the Synthesis of Aromatic SF5 Compounds via Cross Coupling, Azo Coupling, Homocoupling, Dediazoniation, and Click Chemistry

The reagent 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate (1) was synthesized and isolated as a stable salt for the first time; its application in a wide assortment of transformations was subsequently investigated. A series of novel SF5-bearing alkenes, alkynes, and biaryl derivatives were synthesized by employing Heck-Matsuda, Sonogashira, and Suzuki coupling protocols. Dediazoniation with TMSX (X = Hal; N3; and CN) and NH4SCN in [BMIM][BF4] as solvent furnished the corresponding p-SF5-C6H4X derivatives. The azide derivative p-SF5-C6H4N3 entered into click chemistry with phenylacetylenes to furnish the corresponding triazoles. The 4,4′-bis(pentafluorosulfanyl)biphenyl was synthesized by homo-coupling using Pd(OAc)2. The corresponding azo compounds were obtained through azo-coupling with reactive aromatic nucleophiles (1,3-dimethoxybenzene, 1,3,5-trimethoxybenzene, 1,2,4-trimethoxybenzene, aniline and phenol). Fluorodediazoniation in [BMIM][PF6] and [BMIM][BF4] selectively furnished the fluoro derivative p-SF5-C6H4F. Dediazoniation in [BMIM][NTf2] gave p-SF5-C6H4OS(O)(CF3)=NSO2CF3 as the major and p-SF5-C6H4-NTf2 as the minor products. Homolytic dediazoniation in MeCN/NaI gave the unsymmetrical biaryls p-SF5-C6H4-Ar (ArH = mesitylene and p-xylene) along with p-SF5-C6H4I. Analysis of the dediazoniation product mixtures indicated that dediazoniation of p-SF5-C6H4N2+ BF4- in low nucleophilicity, highly ionizing, solvents (TfOH, TFE, HFIP, TFAH) is mainly heterolytic, while in MeOH it is mainly homolytic. The isodesmic reaction p-SF5-C6H4+ + R-C6H5 → SF5-C6H5 + p-R-C6H4+ (with R = NO2, CF3, H) was gauged by DFT at various levels and by PCM.

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Process for the preparation of substituted 3- and 4-(pentafluorosulfanyI)benzenes of general formula 3 and 4 by nucleophilic aromatic substitution, where nitrobenzene having pentafiuorosulfanyl group connected in position 3 or 4 is allowed to react in concentration range 0.01 to 8.0 mol.l-1 with compound RY-M+, where R is selected from a group comprising saturated, unsaturated, acyclic, cyclic or aromatic, substituted or unsubstituted carbon chain, Y is the element of VI. B group and M+ is the metal ion, in an organic solvent. The invention includes also further chemical modifications of primary products.