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1-(4-methoxyphenyl)-2,2-dimethyl-propan-1-one, also known as 4'-methoxyacetophenone, is an organic compound with the molecular formula C11H14O2. It is a colorless to pale yellow liquid with a pleasant, floral odor. This chemical is a derivative of acetophenone, featuring a methoxy group attached to the para position of the phenyl ring. It is used as a fragrance ingredient in various applications, such as perfumes, cosmetics, and soaps, due to its ability to impart a sweet, floral scent. Additionally, it has potential applications in the pharmaceutical industry as a chemical intermediate for the synthesis of various drugs. The compound is generally considered to be stable and non-reactive under normal conditions, but it should be stored away from heat and open flames to ensure safety.

2040-26-8

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2040-26-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2040-26-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,0,4 and 0 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2040-26:
(6*2)+(5*0)+(4*4)+(3*0)+(2*2)+(1*6)=38
38 % 10 = 8
So 2040-26-8 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O2/c1-12(2,3)11(13)9-5-7-10(14-4)8-6-9/h5-8H,1-4H3

2040-26-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one

1.2 Other means of identification

Product number -
Other names 1-Propanone,2-dimethyl

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:2040-26-8 SDS

2040-26-8Relevant academic research and scientific papers

Reaction of selenoketones with propiolic acid

Okuma, Kentaro,Koda, Masahiro,Shigetomi, Toshiyuki

, p. 1057 - 1060 (2008)

The reaction of di-tert-butyl selenoketone with propiolic acid gave 2H,6H-1,3-oxaselenin-6-one in 78% yield, whereas the reaction of di-tert-butyl thioketone with propiolic acid recovered starting thioketone almost quantitatively. On the other hand, the r

Synthesis of sterically hindered ketones from aldehydes via O-silyl oximes

Kim, Joong-Gon,Mishra, Mithilesh Kumar,Jang, Doo Ok

, p. 3527 - 3529 (2012)

A mild and efficient method to synthesize sterically hindered ketones from aldehydes via O-silyl oximes was developed. Treatment of O-triphenylsilylated oximes with alkyl iodides in the presence of triethyl borane afforded the corresponding ketones.

Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki-Miyaura Cross-Coupling of Alkyl Amides

Wang, Chang-An,Rahman, Md. Mahbubur,Bisz, Elwira,Dziuk, B?az?ej,Szostak, Roman,Szostak, Michal

, p. 2426 - 2433 (2022/02/17)

We report the Pd-catalyzed Suzuki-Miyaura cross-coupling of aliphatic amides. Although tremendous advances have been made in the cross-coupling of aromatic amides, C-C bond formation from aliphatic amides by selective N-C(O) cleavage has remained a major challenge. This longstanding problem in Pd catalysis has been addressed herein by a combination of (1) the discovery of N,N-pym/Boc amides as a class of readily accessible amide-based reagents for cross-coupling and (2) steric tuning of well-defined Pd(II)-NHC catalysts for cross-coupling. The methodology is effective for the cross-coupling of an array of 3°, 2°, and 1° aliphatic amide derivatives. The catalyst system is user-friendly, since the catalysts are readily available and are air- and bench-stable. Mechanistic studies strongly support an amide bond twist and external nN → π*C═O/Ar delocalization as a unified enabling feature of N,N-pym/Boc amides in selective N-C(O) bond activation. The method provides a rare example of Pd-NHC-catalyzed cross-coupling of aliphatic acyl amide electrophiles.

1,3-Alkyl Transposition in Allylic Alcohols Enabled by Proton-Coupled Electron Transfer

Knowles, Robert R.,Seidler, Gesa,Zhao, Kuo

supporting information, p. 20190 - 20195 (2021/08/13)

A method is described for the isomerization of acyclic allylic alcohols into β-functionalized ketones via 1,3-alkyl transposition. This reaction proceeds via light-driven proton-coupled electron transfer (PCET) activation of the O?H bond in the allylic al

Light-DrivenN-Heterocyclic Carbene Catalysis Using Alkylborates

Sato, Yukiya,Goto, Yamato,Nakamura, Kei,Miyamoto, Yusuke,Sumida, Yuto,Ohmiya, Hirohisa

, p. 12886 - 12892 (2021/10/29)

Radical-radical coupling, the selective reaction between two different radical species, has contributed to the methodology for connecting bulky units. Light-drivenN-heterocyclic carbene (NHC) organocatalysis is recognized as a state-of-the-art methodology enabling radical-radical coupling. The catalytic process involves forming an acyl azolium intermediate from the NHC catalyst and an acyl donor, followed by single electron reduction of this key intermediate, which is largely dependent on the photoredox catalyst. We designed a radical NHC catalysis in which the direct photoexcitation of a borate to form a high reducing agent facilitated the single electron reduction event. The borate produces an alkyl radical for the single electron transfer process to accomplish the radical-radical coupling. This protocol enables cross-coupling between alkylborates and acyl imidazoles in addition to radical relay-type alkylacylations of alkenes with alkylborates and acyl imidazoles, affording ketones with a broad scope.

Photochemical oxidation of benzylic primary and secondary alcohols utilizing air as the oxidant

Nikitas, Nikolaos F.,Tzaras, Dimitrios Ioannis,Triandafillidi, Ierasia,Kokotos, Christoforos G.

, p. 471 - 477 (2020/02/13)

A mild and green photochemical protocol for the oxidation of alcohols to aldehydes and ketones was developed. Utilizing thioxanthenone as the photocatalyst, molecular oxygen from air as the oxidant and cheap household lamps or sunlight as the light source, a variety of primary and secondary alcohols were converted into the corresponding aldehydes or ketones in low to excellent yields. The reaction mechanism was extensively studied.

Electrochemical [4+2] Annulation-Rearrangement-Aromatization of Styrenes: Synthesis of Naphthalene Derivatives

Ma, Yueyue,Lv, Jufeng,Liu, Chengyu,Yao, Xiantong,Yan, Guoming,Yu, Wei,Ye, Jinxing

supporting information, p. 6756 - 6760 (2019/04/17)

We report the first electrochemical strategy to synthesize functionalized naphthalene derivatives through [4+2] annulation—rearrangement–aromatization from styrenes under mild conditions. The electrolysis does not require metals, oxidants and high valence substrates, indicating the atom and step-economy ideals. The dehydrodimer produced through [4+2] cycloaddition of 4-methoxy α-methyl styrene is isolated and proved to be the key intermediate for the following oxydehydrogenation to form carbon cation, which undergoes rearrangement–aromatization to afford the final products. This reaction represents a powerful access to construct multi-substituted naphthalene blocks in a single step.

Phosphazene Base tBu-P4 Catalyzed Methoxy–Alkoxy Exchange Reaction on (Hetero)Arenes

Shigeno, Masanori,Hayashi, Kazutoshi,Nozawa-Kumada, Kanako,Kondo, Yoshinori

supporting information, p. 6077 - 6081 (2019/03/26)

The organic superbase tBu-P4 catalyzes methoxy-alkoxy exchange reactions on (hetero)arenes with alcohols. The catalytic reaction proceeded efficiently with electron-deficient methoxy(hetero)arenes as well as with a variety of alcohols, including 3-amino-1-propanol, β-citronellol, menthol, and cholesterol. An intramolecular version of this reaction furnished six- and seven-membered ring compounds.

N-Heterocyclic Carbene-Catalyzed Decarboxylative Alkylation of Aldehydes

Ishii, Takuya,Kakeno, Yuki,Nagao, Kazunori,Ohmiya, Hirohisa

supporting information, p. 3854 - 3858 (2019/04/25)

We found that N-heterocyclic carbene catalysis promoted the unprecedented decarboxylative coupling of aryl aldehydes and tertiary or secondary alkyl carboxylic acid-derived redox-active esters to produce aryl alkyl ketones. The mild and transition-metal-free reaction conditions are attractive features of this method. The power of this protocol was demonstrated by the functionalization of pharmaceutical drugs and natural product. A reaction pathway involving single electron transfer from an enolate form of Breslow intermediate to a redox ester followed by recombination of the resultant radical pair to form a carbon-carbon bond is proposed.

Cp?Co(III)-Catalyzed C-H Alkylation with Maleimides Using Weakly Coordinating Carbonyl Directing Groups

Mandal, Rajib,Emayavaramban, Balakumar,Sundararaju, Basker

supporting information, p. 2835 - 2838 (2018/05/29)

A novel protocol for ortho-C-H alkylation of aromatic and heteroaromatic ketones and esters under Cp?Co(III) catalysis has been developed for the first time. The reaction proceeds through initial cyclometalation via weak chelation-assisted C-H bond activation, followed by coordination of activated alkene, insertion between Co-C, and protodemetalation.

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