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(4-Fluorophenylthio)acetone is a synthetic chemical compound that belongs to the group of organofluorines. It has the chemical formula C9H9FO, indicating that it is composed of nine carbon atoms, nine hydrogen atoms, one fluorine atom, and one oxygen atom. The chemical structure of (4-Fluorophenylthio)acetone features a four-position fluorophenylthio group attached to an acetone molecule. As with many other chemicals, it is likely used in various industrial and research applications, although detailed information about this specific compound may be limited due to its specialized nature. Careful handling is recommended to prevent unwanted reactions or hazards.

2968-13-0

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2968-13-0 Usage

Uses

Used in Chemical Synthesis:
(4-Fluorophenylthio)acetone is used as an intermediate in the synthesis of various organic compounds, particularly those involving organofluorine chemistry. Its unique structure allows for the creation of a wide range of molecules with potential applications in different industries.
Used in Pharmaceutical Research:
(4-Fluorophenylthio)acetone is used as a research compound in the development of new pharmaceuticals. Its organofluorine nature may contribute to the discovery of novel drug candidates with improved properties, such as increased stability, bioavailability, or target specificity.
Used in Material Science:
(4-Fluorophenylthio)acetone is used as a component in the development of new materials with specific properties, such as enhanced thermal stability, chemical resistance, or electronic characteristics. Its incorporation into material formulations can lead to the creation of advanced materials for various applications.
Used in Analytical Chemistry:
(4-Fluorophenylthio)acetone is used as a reference compound or a standard in analytical chemistry, particularly in techniques such as chromatography, mass spectrometry, or nuclear magnetic resonance (NMR) spectroscopy. Its distinct chemical properties can aid in the identification and quantification of other compounds in complex mixtures.

Check Digit Verification of cas no

The CAS Registry Mumber 2968-13-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,9,6 and 8 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2968-13:
(6*2)+(5*9)+(4*6)+(3*8)+(2*1)+(1*3)=110
110 % 10 = 0
So 2968-13-0 is a valid CAS Registry Number.

2968-13-0 Well-known Company Product Price

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  • Alfa Aesar

  • (B20094)  (4-Fluorophenylthio)acetone, 97%   

  • 2968-13-0

  • 1g

  • 142.0CNY

  • Detail
  • Alfa Aesar

  • (B20094)  (4-Fluorophenylthio)acetone, 97%   

  • 2968-13-0

  • 5g

  • 563.0CNY

  • Detail

2968-13-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-fluorophenyl)sulfanylpropan-2-one

1.2 Other means of identification

Product number -
Other names 4-fluorophenylthioacetone

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:2968-13-0 SDS

2968-13-0Relevant articles and documents

Synthesis of α-arylthioacetones using TEMPO as the: C 3 synthon via a reaction cascade of sequential oxidation, skeletal rearrangement and C-S bond formation

Zou, Jiao-Xia,Jiang, Yi,Lei, Shuai,Yin, Gao-Feng,Hu, Xiao-Ling,Zhao, Quan-Yi,Wang, Zhen

supporting information, p. 2341 - 2345 (2019/03/07)

Here, we present an unprecedented pathway to α-sulfenylated carbonyl compounds from commercially available thiols and universally employed TEMPO and its analogues, which act as C3 synthons through skeletal rearrangement under simple and metal-f

Total Synthesis of the Reported Structure of Stresgenin B Enabled by the Diastereoselective Cyanation of an Oxocarbenium

Chan, Wei Chuen,Koide, Kazunori

supporting information, p. 7798 - 7802 (2019/01/04)

We report the first total synthesis of the reported structure of the heat shock protein expression inhibitor stresgenin B. The synthesis features (1) diastereoselective cyanation of an oxocarbenium intermediate en route to the synthetically challenging α-

A sulfur-containing amino acid amide carbamate derivative and application thereof

-

Paragraph 0033-0034; 0038-0039, (2017/08/09)

The invention belongs to the field of plant fungicides, and relates to sulfur-containing amino acid amide carbamate derivatives of which the general formulas I are shown in the description and pharmaceutically acceptable salts of the sulfur-containing amino acid amide carbamate derivatives. In the general formulas I, substituent groups R1, R2 and n are defined in the description. The invention further relates to preparation methods of compounds related to the general formulas I, special intermediates developed for the preparation of the compounds, and application of the compounds to prevention and control of plant diseases.

α-Arylchalcogenation of acetone with diaryl dichalcogenide via metal-free oxidative C(sp3)-H bond functionalization

Yan, Guobing,Borah, Arun Jyoti,Wang, Lianggui,Pan, Zhangjin,Chen, Shuangshuang,Shen, Xuqian,Wu, Xiangmei

, p. 4305 - 4307 (2015/06/22)

Direct α-arylchalcogenation of acetone with diaryl dichalcogenides has been achieved by using a mixture of TBHP and DTBP oxidants at 120 °C without transition-metal catalyst via oxidative C(sp3)-H bond functionalization. The method exhibits good functional group tolerance and products were isolated in moderate to high yields.

Electrophilic substitution reactions using an electrogenerated ArS(ArSSAr)+ cation pool as an ArS+ equivalent

Matsumoto, Kouichi,Kozuki, Yuki,Ashikari, Yosuke,Suga, Seiji,Kashimura, Shigenori,Yoshida, Jun-Ichi

, p. 1916 - 1919 (2012/05/05)

Arylbis(arylthio)sulfonium ions (ArS(ArSSAr)+), which were generated and accumulated by the low-temperature electrolysis of diaryl disulfide (ArSSAr), were found to serve as ArS+ equivalent in electrophilic substitution reactions of

Preparation and pharmacological evaluation of a novel series of 2-(phenylthio)benzo[b]thiophenes as selective MT2 receptor ligands

Mésangeau, Christophe,Fraise, Mika?l,Delagrange, Philippe,Caignard, Daniel Henri,Boutin, Jean Albert,Berthelot, Pascal,Yous, Sa?d

experimental part, p. 1835 - 1840 (2011/05/06)

A series of N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl) ethyl)acylamides was synthesized and evaluated for binding affinity and intrinsic activity at melatonin receptors. The affinity of each compound for the melatonin receptors was determined by binding studies on cloned human MT 1 and MT2 receptors expressed in CHO cells. Agonist and antagonist potency was measured on the [35S]GTPγS binding assay for the most interesting compounds. The new derivatives 8-14 showed modest to high selectivity (between 4 and 220) for MT2 receptors. The most selective compound, N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl) ethyl)but-3-enamide (14), an MT2 ligand with affinity for the MT 2 receptor similar to that of melatonin and a 220-fold preference over MT1 receptors, acts as a partial agonist. In addition, N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)propionamide (9), a nanomolar MT2 ligand with a good selectivity ratio (MT 1/MT2 = 51) shows antagonist activity on both melatonin receptors.

HETEROCYCLIC DIHYDROPYRIMIDINE COMPOUNDS

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Page/Page column 45-46, (2008/06/13)

Novel heterocyclic dihydropyrimidine compounds useful as inhibitors of potassium channel function (especially inhibitors of the Kv1 subfamily of voltage gated K+ channels, especially inhibitors Kv1.5 which has been linked to the ultra rapidly activating d

Synthesis, anti-mycobacterial, anti-trichomonas and anti-candida in vitro activities of 2-substituted-6,7-difluoro-3-methylquinoxaline 1,4-dioxides

Carta, Antonio,Loriga, Mario,Paglietti, Giuseppe,Mattana, Antonella,Fiori, Pier Luigi,Mollicotti, Paola,Sechi, Leonardo,Zanetti, Stefania

, p. 195 - 203 (2007/10/03)

A new series of 23 6,7-difluoro-3-methyl-2-phenylthio/phenylsulfonyl/ phenylsulfinyl/benzylamino/phenylamino-quinoxaline 1,4-dioxides variously substituted in the phenyl moiety, was synthesized and submitted to in vitro evaluation for anti-mycobacterial,

C17,20-lyase inhibitors I. Structure-based de novo design and SAR study of C17,20-lyase inhibitors.

Matsunaga, Nobuyuki,Kaku, Tomohiro,Itoh, Fumio,Tanaka, Toshimasa,Hara, Takahito,Miki, Hiroshi,Iwasaki, Masahiko,Aono, Tetsuya,Yamaoka, Masuo,Kusaka, Masami,Tasaka, Akihiro

, p. 2251 - 2273 (2007/10/03)

Novel nonsteroidal C(17,20)-lyase inhibitors were synthesized using de novo design based on its substrate, 17 alpha-hydroxypregnenolone, and several compounds exhibited potent C(17,20)-lyase inhibition. However, in vivo activities were found to be short-lasting, and in order to improve the duration of action, a series of benzothiophene derivatives were evaluated. As a result, compounds 9h, (S)-9i, and 9k with nanomolar enzyme inhibition (IC(50)=4-9 nM) and 9e (IC(50)=27 nM) were identified to have powerful in vivo efficacy with extended duration of action. The key structural determinants for the in vivo efficacy were demonstrated to be the 5-fluoro group on the benzothiophene ring and the 4-imidazolyl moiety. Superimposition of 9k and 17 alpha-hydroxypregnenolone demonstrated their structural similarity and enabled rationalization of the pharmacological results. In addition, selected compounds were also identified to be potent inhibitors of human enzyme with IC(50) values of 20-30 nM.

Structure-activity relationship of benzo[b]thiophene-2-sulfonamide derivatives as novel human chymase inhibitors

Masaki, Hidekazu,Mizuno, Yusuke,Tatui, Akira,Murakami, Akira,Koide, Yuuki,Satoh, Shoji,Takahashi, Atsuo

, p. 4085 - 4088 (2007/10/03)

We have identified a new class of chymase inhibitor through a substituent analysis of MWP00965, which we previously discovered by in silico screening. TY-51076 (7) showed high potency (IC50=56 nM) and excellent selectivity for chymase compared to chymotrypsin and cathepsin G (>400-fold). The synthesis and structure-activity relationship of this class are described.

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