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4'-TERT-BUTYLPROPIOPHENONE is a chemical compound that serves as a key intermediate in the synthesis of various pharmaceuticals. It is an organic substance, characterized by its light yellow liquid appearance and a tert-butyl functional group attached to a propiophenone backbone. Although it is considered safe when used as directed, it is not commonly found in mainstream commercial products due to its specialized applications. 4'-TERT-BUTYLPROPIOPHENONE is typically synthesized in a laboratory setting, and proper safety measures should be taken during handling to avoid potential health complications.

71209-71-7

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71209-71-7 Usage

Uses

Used in Pharmaceutical Industry:
4'-TERT-BUTYLPROPIOPHENONE is used as a key intermediate in the synthesis of various pharmaceutical compounds for its ability to facilitate the creation of new and effective medications.
Used in Organic Chemistry Research:
4'-TERT-BUTYLPROPIOPHENONE is used as a research compound in organic chemistry for its potential to contribute to the development of novel chemical reactions and methodologies.
Used in Laboratory Settings:
4'-TERT-BUTYLPROPIOPHENONE is used as a reagent in laboratory settings for the synthesis of specialized compounds, given its unique structural features and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 71209-71-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,2,0 and 9 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 71209-71:
(7*7)+(6*1)+(5*2)+(4*0)+(3*9)+(2*7)+(1*1)=107
107 % 10 = 7
So 71209-71-7 is a valid CAS Registry Number.

71209-71-7SDS

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 4'-tert-Butylpropiophenone

1.2 Other means of identification

Product number -
Other names 1-(4-tert-butylphenyl)propan-1-one

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:71209-71-7 SDS

71209-71-7Relevant academic research and scientific papers

A Mild Heteroatom (O -, N -, and S -) Methylation Protocol Using Trimethyl Phosphate (TMP)-Ca(OH) 2Combination

Tang, Yu,Yu, Biao

, (2022/03/27)

A mild heteroatom methylation protocol using trimethyl phosphate (TMP)-Ca(OH)2combination has been developed, which proceeds in DMF, or water, or under neat conditions, at 80 °C or at room temperature. A series of O-, N-, and S-nucleophiles, including phenols, sulfonamides, N-heterocycles, such as 9H-carbazole, indole derivatives, and 1,8-naphthalimide, and aryl/alkyl thiols, are suitable substrates for this protocol. The high efficiency, operational simplicity, scalability, cost-efficiency, and environmentally friendly nature of this protocol make it an attractive alternative to the conventional base-promoted heteroatom methylation procedures.

Photoredox/nickel-catalyzed hydroacylation of ethylene with aromatic acids

Chen, Shuai,He, Hengchi,Li, Weipeng,Xie, Jin,Zhang, Lili,Zhu, Chengjian

supporting information, p. 9064 - 9067 (2021/09/15)

We report a general, practical and scalable hydroacylation reaction of ethylene with aromatic carboxylic acids with the synergistic combination of nickel and photoredox catalysis. Under ambient temperature and pressure, feedstock chemicals such as ethylene can be converted into high-value-added aromatic ketones in moderate to good yields (up to 92%) with reaction time of 2-6 hours.

Cobalt-Catalyzed Migrational Isomerization of Styrenes

Zhao, Jiajin,Cheng, Biao,Chen, Chenhui,Lu, Zhan

supporting information, p. 837 - 841 (2020/01/31)

An efficient cobalt-catalyzed migrational isomerization of styrenes was developed using the thiazoline iminopyridine (TIP) ligand. This reaction is operationally simple and atom-economical using readily available starting materials to access trisubstituted alkenes. Even when using a 0.1 mol % catalyst loading, the reaction could be conducted in neat and completed in 1 h with excellent conversion and high E stereoselectivity.

Palladium-Catalyzed Carbonylative Coupling of Aryl Iodides with Alkyl Bromides: Efficient Synthesis of Alkyl Aryl Ketones

Peng, Jin-Bao,Chen, Bo,Qi, Xinxin,Ying, Jun,Wu, Xiao-Feng

supporting information, p. 4153 - 4160 (2018/09/21)

Alkyl aryl ketones are important structures with applications in many areas of chemistry. Hence, efficient procedures for their production are particularly attractive. In this communication, a general and efficient carbonylative cross-coupling of aryl iodides and unactivated alkyl bromides is presented. By using a simple palladium catalyst, a series of alkyl aryl ketones were synthesized in moderate to excellent yields from readily available alkyl and aryl halides in an In-Ex tube with formic acid as the CO source. In this study both primary and secondary alkyl bromides/iodides were suitable coupling partners. Additionally, this method can also be employed for the late-stage functionalization of complex natural products and polyfunctionalized molecules. (Figure presented.).

Photoinduced C—C Bond Cleavage and Oxidation of Cycloketoxime Esters

Zhao, Binlin,Tan, Hui,Chen, Cheng,Jiao, Ning,Shi, Zhuangzhi

, p. 995 - 999 (2018/09/25)

A novel structural reorganization of cycloketoxime esters beyond the traditional Beckmann rearrangement process has been established to build cyano-containing ketones in the presence of photocatalyst. This novel transformation is remarkable with selective C—C bond cleavage and an oxidation process enabled by DMSO used as the solvent, oxidant, and oxygen source avoiding acid, base and toxic cyanide salts as the cyano source. Further applications in late-stage modification of complex and chiral molecules have also been reported.

Ligand-Controlled Chemoselective C(acyl)-O Bond vs C(aryl)-C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)-C(sp3) Cross-Couplings

Chatupheeraphat, Adisak,Liao, Hsuan-Hung,Srimontree, Watchara,Guo, Lin,Minenkov, Yury,Poater, Albert,Cavallo, Luigi,Rueping, Magnus

supporting information, p. 3724 - 3735 (2018/03/21)

A ligand-controlled and site-selective nickel catalyzed Suzuki-Miyaura cross-coupling reaction with aromatic esters and alkyl organoboron reagents as coupling partners was developed. This methodology provides a facile route for C(sp2)-C(sp3) bond formation in a straightforward fashion by successful suppression of the undesired β-hydride elimination process. By simply switching the phosphorus ligand, the ester substrates are converted into the alkylated arenes and ketone products, respectively. The utility of this newly developed protocol was demonstrated by its wide substrate scope, broad functional group tolerance and application in the synthesis of key intermediates for the synthesis of bioactive compounds. DFT studies on the oxidative addition step helped rationalizing this intriguing reaction chemoselectivity: whereas nickel complexes with bidentate ligands favor the C(aryl)-C bond cleavage in the oxidative addition step leading to the alkylated product via a decarbonylative process, nickel complexes with monodentate phosphorus ligands favor activation of the C(acyl)-O bond, which later generates the ketone product.

A PROCESS FOR PREPARING FUNCTIONAL POLYMERS THROUGH ADDITION OF AMINO AND POLYMERYL GROUPS TO ALDEHYDE MOIETIES

-

Paragraph 0062-0067, (2018/10/19)

The present disclosure relates to a one-pot process for synthesizing functional compounds or functional polymers by reacting an aldehyde with an alkyl-zinc or polymeryl-zinc composition in the presence of a specific Lewis acid, wherein the reaction is rapid and facile at high temperatures.

A chemoselective α-aminoxylation of aryl ketones: a cross dehydrogenative coupling reaction catalysed by Bu4NI

Siddaraju, Yogesh,Prabhu, Kandikere Ramaiah

supporting information, p. 11651 - 11656 (2015/12/08)

Tetrabutyl ammonium iodide (TBAI) catalyzed α-aminoxylation of ketones using aq. TBHP as an oxidant has been accomplished. We have shown that the CDC (cross dehydrogenative coupling) reactions of ketones with N-hydroxyimidates such as N-hydroxysuccinimide (NHSI), N-hydroxyphthalimide (NHPI), N-hydroxybenzotriazole (HOBt) and 1-hydroxy-7-azabenzotriazole (HOAt) lead to the corresponding oxygenated products in good to moderate yields. The application of this method has been demonstrated by transforming a few coupled products into synthetically useful intermediates and products.

5-Aryl-imidazolin-2-ones as a scaffold for potent antioxidant and memory-improving activity

Watanabe, Kazutoshi,Morinaka, Yasuhiro,Hayashi, Yoshio,Shinoda, Masaki,Nishi, Hiroyoshi,Fukushima, Nobuko,Watanabe, Toshiaki,Ishibashi, Akira,Yuki, Satoshi,Tanaka, Masahiko

, p. 1478 - 1483 (2008/09/18)

A series of 5-phenyl-substituted-N-alkyl-imidazolin-2-ones with potent radical-scavenging activity and lipid peroxidation inhibitory activity was synthesized. Many of the compounds showed memory-improving effect in animal models independent of the inhibitory activity on lipid peroxidation.

Mechanistic study of β-hydrogen elimination from organoplatinum(II) enolate complexes

Alexanian, Erik J.,Hartwig, John F.

supporting information; scheme or table, p. 15627 - 15635 (2009/03/12)

A detailed mechanistic investigation of the thermal reactions of a series of bisphosphine alkylplatinum(II) enolate complexes is reported. The reactions of methylplatinum enolate complexes in the presence of added phosphine form methane and either free or coordinated enone, depending on the steric properties of the enone. Kinetic studies were conducted to determine the relationship between the rates and mechanism of β-hydrogen elimination from enolate complexes and the rates and mechanism of β-hydrogen elimination from alkyl complexes. The rates of reactions of the enolate complexes were inversely dependent on the concentration of added phosphine, indicating that β-hydrogen elimination from the enolate complexes occurs after reversible dissociation of a phosphine. A normal, primary kinetic isotope effect was measured, and this effect was consistent with rate-limiting β-hydrogen elimination or C-H bond-forming reductive elimination to form methane. Reactions of substituted enolate complexes were also studied to determine the effect of the steric and electronic properties of the enolate complexes on the rates of β-hydrogen elimination. These studies showed that reactions of the alkylplatinum enolate complexes were retarded by electron-withdrawing substituents on the enolate and that reactions of enolate complexes possessing alkyl substituents at the β-position occurred at rates that were similar to those of complexes lacking alkyl substituents at this position. Despite the trend in electronic effects on the rates of reactions of enolate complexes and the substantial electronic differences between an enolate and an alkyl ligand, the rates of decomposition of the enolate complexes were similar to those of the analogous alkyl complexes. To the extent that the rates of reaction of the two types of complexes are different, those involving β-hydrogen elimination from the enolate ligand were faster. A difference between the rate-determining steps for decomposition of the two classes of complexes and an effect of stereochemistry on the selectivity for β-hydrogen elimination are possible origins of the observed phenomena.

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