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3-(4-TERT-BUTYL-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER is a chemical compound with the molecular formula C12H16O3. It is a methyl ester derivative of 3-(4-tert-butyl-phenyl)-3-oxo-propionic acid, which is a phenylpyruvic acid derivative. This colorless liquid possesses a fruity odor and is widely recognized for its applications in various industries.

200280-57-5

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200280-57-5 Usage

Uses

Used in Pharmaceutical Synthesis:
3-(4-TERT-BUTYL-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER is utilized as a key intermediate in the synthesis of pharmaceuticals and other organic compounds. Its unique chemical structure allows it to serve as a building block for the development of new drugs and medicinal agents.
Used in Flavoring Agent in the Food Industry:
In the food industry, 3-(4-TERT-BUTYL-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER is employed as a flavoring agent. Its fruity aroma makes it a popular choice for enhancing the taste and aroma of various food products, contributing to a more enjoyable consumer experience.
Used as a Fragrance in the Cosmetic and Perfume Industry:
3-(4-TERT-BUTYL-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER is also used as a fragrance in the cosmetic and perfume industry. Its pleasant and fruity scent adds a distinct and appealing aroma to various cosmetic products, such as perfumes, lotions, and creams, making them more attractive to consumers.

Check Digit Verification of cas no

The CAS Registry Mumber 200280-57-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,0,2,8 and 0 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 200280-57:
(8*2)+(7*0)+(6*0)+(5*2)+(4*8)+(3*0)+(2*5)+(1*7)=75
75 % 10 = 5
So 200280-57-5 is a valid CAS Registry Number.

200280-57-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-(4-tert-butylphenyl)-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names methyl 4-tert-butylbenzoylacetate

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:200280-57-5 SDS

200280-57-5Relevant academic research and scientific papers

Palladium Catalyzed Ring Expansion Reaction of Isoxazolones with Isocyanides: Synthesis of 1,3-Oxazin-6-One Derivatives

Zhu, Yi-Ming,Zhang, Wan,Li, Hongkun,Xu, Xiao-Ping,Ji, Shun-Jun

, p. 808 - 818 (2020/12/03)

A palladium catalyzed ring expansion reaction of isoxazolones with isocyanides was disclosed. In the reaction, a cascade process involving ring-opening/cyclization was suggested. The reaction features high atomic economy due to no elimination of CO2 occurred. Moreover, products obtained demonstrate aggregation-induced emission properties with relatively high solid-state emission efficiencies. (Figure presented.).

PYRAZOLONE DERIVATIVES AS NITROXYL DONORS

-

Page/Page column 179; 195; 314, (2016/01/29)

The disclosed subject matter provides pyrazolone derivative compounds, pharmaceutical compositions comprising such compounds, kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions. In particular, the disclosed subject matter provides methods of using such compounds or pharmaceutical compositions for treating heart failure.

Synthesis and biological activity of new (E)-α-(Methoxyimino) benzeneacetate derivatives containing a substituted pyrazole ring

Li, Miao,Liu, Chang-Ling,Yang, J.I.-Chun,Zhang, Jin-B.O.,Li, Zhi-Nian,Zhang, Hong,Li, Zheng-Ming

experimental part, p. 2664 - 2667 (2011/08/05)

Strobilurins are one of the most important classes of agricultural fungicides. To discover new strobilurin analogues with high activity, a series of new strobilurin derivatives containing a substituted pyrazole in the side chain were synthesized and their biological activities were tested. The compounds were identified by 1H nuclear magnetic resonance, infrared, and elemental analysis. The test results indicated that the compounds exhibited strong fungicidal activities against Pyricularia oryzae, Phytophthora infestans, Pseudoperonospora cubenssi, and Erysiphe graminis. The relationship between structure and biological activity is discussed in terms of the effects of the substituents on the pyrazole ring. The present work demonstrates that strobilurin analogues with a 3-(substituted phenyl)-1 H-pyrazol-5-oxy side chain can be used as possible lead compounds for the development of potential agrochemicals.

HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE

-

Page/Page column 53-54, (2009/04/24)

The present invention relates to compounds and methods useful as modulators of CB2 for the treatment or prevention of disease states including, but not limited to pain, autoimmune disease, malabsorption syndrome, pulmonary disease, osteoporosis, muscle spasm in cancer, neuromuscular disorder, and atherosclerosis progression.

Heck reactions of α- or β-substituted enol ethers with aryl bromides catalysed by a tetraphosphane/palladium complex - Direct access to acetophenone or 1-arylpropanone derivatives

Battace, Ahmed,Feuerstein, Marie,Lemhadri, Mhamed,Zair, Touriya,Doucet, Henri,Santelli, Maurice

, p. 3122 - 3132 (2008/02/08)

cis,cis,cis-1,2,3,4-Tetrakis(diphenylphosphanylmethyl)cyclopentane/ [PdCl(C3H5)]2 efficiently catalyses the Heck reaction of α- and β-substituted enol ethers with aryl bromides. The arylation of 1-phenyl-1-(trimethylsilyloxy) ethylene led directly to the 2-aryl-1-phenylethanones. Similar reaction rates were observed with electron-rich, electron-deficient or sterically congested aryl bromides. Heck reaction with benzyl isopropenyl ether gave a mixture of isomers. However, this mixture gave selectively the 1-arylpropanones after hydrolysis. Employing β-methoxystyrene, 3-ethoxyacrylonitrile or methyl 3-methoxyacrylate, the regioselective α-arylation of these enol ethers was observed in all cases, but mixtures of (Z) and (E) isomers were generally obtained, which in many cases yielded a single ketone product after acid treatment. The stereoselectivity of this reaction depends on steric and electronic factors, and better stereoselectivities in favour of (Z) isomers were observed with electron-rich or sterically congested aryl bromides. Higher yields were obtained for this reaction with electron-rich or sterically congested aryl bromides than with electron-poor aryl bromides. These observations suggest that the rate-limiting step of the catalytic cycle is not the oxidative addition of the aryl bromide to the palladium complex with these substituted enol ethers. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

Heck reactions of 2-substituted enol ethers with aryl bromides catalysed by a tetraphosphine/palladium complex

Battace, Ahmed,Zair, Touriya,Doucet, Henri,Santelli, Maurice

, p. 459 - 462 (2007/10/03)

cis,cis,cis-1,2,3,4-Tetrakis(diphenylphosphinomethyl)cyclopentane/ [PdCl(C3H5)]2 efficiently catalyses the Heck reaction of β-substituted enol ethers with aryl bromides. Employing β-methoxystyrene, 3-ethoxyacrylonitrile or methyl 3-methoxyacrylate, the regioselective α-arylation of these enol ethers was observed in all cases, and mixtures of Z and E isomers were generally obtained, which in many cases yielded a single ketone product after acid treatment. The stereoselectivity of this reaction depends on steric and electronic factors, and better stereoselectivities in favour of Z isomers were observed with electron-rich or sterically congested aryl bromides. Better yields were obtained for this reaction with electron-rich or sterically congested aryl bromides than with electron-poor aryl bromides. This observation suggests that with these β-substituted enol ethers the rate-limiting step of the catalytic cycle is not the oxidative addition of the aryl bromide to the palladium complex.

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