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2-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]acetamide is a complex organic compound with a molecular formula of C20H18BrN3O. It is characterized by a 2-(4-bromophenyl)acetamide group connected to a 1-(4-methylbenzyl)-1H-pyrazol-3-yl moiety. 2-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]acetamide is a derivative of acetamide, with a bromine atom attached to the phenyl ring and a pyrazole ring fused to a benzyl group. It is likely to be used in pharmaceutical or chemical research due to its unique structure and potential reactivity. The presence of a bromine atom and a pyrazole ring suggests that it may have specific chemical properties or be involved in reactions that require these functional groups.

6306-17-8

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6306-17-8 Usage

Molecular class

Acetamide derivatives

Structural features

4-bromophenyl group attached to the nitrogen atom of an N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]acetamide moiety

Potential relevance

Biological and pharmaceutical due to structural features

Specific biological activities

Unknown, further research needed to understand potential uses and biological effects.

Check Digit Verification of cas no

The CAS Registry Mumber 6306-17-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,0 and 6 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6306-17:
(6*6)+(5*3)+(4*0)+(3*6)+(2*1)+(1*7)=78
78 % 10 = 8
So 6306-17-8 is a valid CAS Registry Number.

6306-17-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Thiohexansaeure-dimethylamid

1.2 Other means of identification

Product number -
Other names butyl phenacyl sulfide

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:6306-17-8 SDS

6306-17-8Relevant academic research and scientific papers

Stereo- and Regioselective Cu-Catalyzed Hydroboration of Alkynyl Chalcogenoethers

de Oliveira, Isadora M.,Esteves, Henrique A.,Darbem, Mariana P.,Sartorelli, Arthur,Correra, Thiago C.,Rodrigues-Oliveira, André F.,Pimenta, Daniel C.,Zukerman-Schpector, Julio,Manarin, Flávia,Stefani, Hélio A.

, p. 3545 - 3552 (2020/06/02)

A mild stereo- and regioselective Cu-catalyzed hydroboration method for the synthesis of (Z)-seleno-alkenyl boronates and (Z)-thio-alkenylboronates from internal alkynes in the presence of commercially available B2pin2 is presented. This highly selective transformation relies on the use of N-heterocyclic carbene (NHC) complex IPrCuCl as the active catalytic species. We also explore the functionalization of the alkenylboronates obtained via oxidation to give α-chalcogeno ketones, useful building blocks for the synthesis of more complex chalcogen-containing molecules.

Thiol-free chemoenzymatic synthesis of β-ketosulfides

Heredia, Adrián A.,López-Vidal, Martín G.,Kurina-Sanz, Marcela,Bisogno, Fabricio R.,Pe?é?ory, Alicia B.

supporting information, p. 378 - 387 (2019/02/20)

A preparation of β-ketosulfides avoiding the use of thiols is described. The combination of a multicomponent reaction and a lipase-catalysed hydrolysis has been developed in order to obtain high chemical diversity employing a single sulfur donor. This methodology for the selective synthesis of a set of β-ketosulfides is performed under mild conditions and can be set up in one-pot two-step and on a gram-scale.

Stevens rearrangement of thioethers with arynes: A facile access to multi-substituted β-keto thioethers

Xu, Xiao-Bo,Lin, Zi-Hua,Liu, Yuyin,Guo, Jian,He, Yun

supporting information, p. 2716 - 2720 (2017/04/03)

An effective method for the synthesis of multi-substituted β-keto thioethers via Stevens rearrangement of simple β-keto thioethers with arynes has been developed. In these reactions, successive C-S/C-H/C-C bonds were formed in one pot under mild and transition-metal free conditions to afford multi-substituted β-keto thioethers in moderate to good yields.

Palladium-catalyzed methylation of alkynyl C(sp)-H bonds with dimethyl sulfonium ylides

Liu, Yan-Yun,Yang, Xu-Heng,Huang, Xiao-Cheng,Wei, Wen-Ting,Song, Ren-Jie,Li, Jin-Heng

, p. 10421 - 10426 (2013/11/06)

A novel palladium-catalyzed methylation protocol for the synthesis of methyl-functionalized internal alkynes has been established. This methylation method is achieved through a C(sp)-C(sp3) bond formation process and represents a new synthetic application of sulfonium ylides.

Palladium-catalyzed addition of potassium aryltrifluoroborates to aliphatic nitriles: Synthesis of alkyl aryl ketones, diketone compounds, and 2-arylbenzo[b]furans

Wang, Xingyong,Liu, Miaochang,Xu, Long,Wang, Qingzong,Chen, Jiuxi,Ding, Jinchang,Wu, Huayue

, p. 5273 - 5281 (2013/07/26)

A palladium-catalyzed addition of potassium aryltrifluoroborates to aliphatic nitriles has been developed, leading to a wide range of alkyl aryl ketones with moderate to excellent yields. Moreover, several dinitriles (e.g., malononitrile, glutaronitrile, and adiponitrile) were applicable to this process for the construction of 1,3-, 1,5-, or 1,6-dicarbonyl compounds. The scope of the developed approach is successfully explored toward the one-step synthesis of 2-arylbenzo[b]furans via sequential addition and intramolecular annulation reactions. The methodology accepted a wide range of substrates and is applicable to library synthesis.

An efficient and odorless synthesis of thioethers using 2-[Bis(alkylthio)methylene]-3-oxo-N-o-tolylbutanamides as thiol equivalents

Yu, Haifeng

experimental part, p. 367 - 371 (2012/04/23)

Using 2-[bis(alkylthio)methylene]-3-oxo-N-o-tolylbutanamides 1 as odorless thiol equivalents, an efficient and odorless synthesis of thioethers has been developed. Promoted by NaOH in EtOH, the cleavage of 1 commences to generate thiolate anions, and the generated thiolate anions then react with halides to give various thioethers in good yield. It is noteworthy that only a very faint odor of thiols can be perceived during both the reaction and the workup. Using 2-[bis(alkylthio)methylene]-3-oxo-N-o-tolylbutanamides as odorless thiol equivalents, an efficient and odorless synthesis of thioethers has been developed. Promoted by NaOH in EtOH, the cleavage of 2-[bis(alkylthio)methylene] -3-oxo-N-o-tolylbutanamides commences to generate thiolate anions, and the generated thiolate anions then react with halides to give various thioethers in good yield. Copyright

Enantioselective reduction of α-substituted ketones mediated by the boronate ester TarB-NO2

Eagon, Scott,Ball-Jones, Nicholas,Haddenham, Dustin,Saavedra, Jaime,Delieto, Cassandra,Buckman, Matthew,Singaram, Bakthan

supporting information; experimental part, p. 6418 - 6421 (2010/12/30)

A facile and mild reduction procedure is reported for the preparation of chiral secondary alcohols prepared from α-substituted ketones using sodium borohydride and the chiral boronate ester (l)-TarB-NO2. Direct reduction of substituted ketones bearing Lewis basic heteroatoms generally provided secondary alcohols of only modest enantiomeric excess likely due to either competition between the target carbonyl and the functionalized sidechains at the Lewis acidic boron atom in TarB-NO2 or the added steric bulk of the α-sidechain. As an alternative method, these substrates were synthesized using TarB-NO2 via a two-step procedure involving the reduction of an α-halo ketone to a chiral terminal epoxide, followed by regioselective/regiospecific epoxide opening by various nucleophiles. This procedure provides access to a variety of functionalized secondary alcohols including β-hydroxy ethers, thioethers, nitriles, and amines with enantiomeric excesses of 94% and yields up to 98%.

NaOH-promoted thiolysis of oxiranes using 2-[bis(alkylthio)methylene]-3- oxo-N-o-tolylbutanamides as odorless thiol equivalents

Yu, Haifeng,Dong, Dewen,Ouyang, Yan,Wang, Yan,Liu, Qun

, p. 151 - 155 (2008/03/13)

A convenient and efficient protocol for the thiolysis of oxiranes using 2-[bis(alkylthio)methylene]-3-oxo-N-o-tolylbutanamides as thiol equivalents has been developed. Promoted by sodium hydroxide (NaOH) in ethanol at room temperature, the cleavage commences and the generated thiolate anions undergo nucleophilic addition in situ. β-Hydroxy Sulfides were obtained in high yields along with good β-regioselectivity, and trans β-hydroxy Sulfides were also isolated. The thiolysis of one α,β-epoxyketone product with the thiol equivalents was accomplished to afford the corresponding α-carbonyl sulfides in excellent yields. In all the cases, 3-oxo-N-o-tolylbutanamide, the precursor of the thiol equivalents, could be recovered in the novel thiolysis process as a byproduct in good yield. Georg Thieme Verlag Stuttgart.

Ionic liquid promoted regio- and stereo-selective thiolysis of epoxides-A simple and green approach to β-hydroxy- and β-keto sulfides

Ranu, Brindaban C.,Mandal, Tanmay,Banerjee, Subhash,Dey, Suvendu S.

, p. 278 - 283 (2008/02/11)

A variety of epoxides underwent facile cleavage by thiols under the catalysis of 1-methyl-3-butylimidazolium bromide, [bmIm]Br, to produce the corresponding β-hydroxy sulfides with high regio- and stereo-selectivity. On the other hand, a specially designed basic ionic liquid, [bmIm]OH, efficiently catalyzes the thiolysis of ,β-epoxy ketones providing β-keto sulfides through simultaneous retro-aldol cleavages. The reactions are clean, high yielding, and do not require any organic solvent. The catalyst is also recycled. CSIRO 2007.

The hydroboration of 1-alkylthio-1-alkynes, and its application to the syntheses of s-alkyl alkanethioates and (Z)-1-alkylthio-1-alkenes

Hoshi,Masuda,Arase

, p. 447 - 452 (2007/10/02)

Hydroboration of 1-alkylthio-1-alkynes with dicyclohexylborane or bis(1,2-dimethylpropyl)borane proceeded smoothly, adding most of the dialkylboryl group to the α-position of the triple bond. The resulting alkenylboranes afforded either S-alkyl alkanethio

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