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1-[4-(1,1-dimethyleTHOXY)phenyl]-ethanone, also known as 1-[4-(tert-butoxy)phenyl]ethanone or 4'-tert-butyl-1-(2-oxoethyl)benzene, is an organic compound with the chemical formula C11H14O2. It is a colorless to pale yellow liquid with a molecular weight of 178.23 g/mol. 1-[4-(1,1-DIMETHYLETHOXY)PHENYL]-ETHANONE is characterized by the presence of a ketone group (C=O) attached to a phenyl ring, which is substituted with a tert-butyl group (C(CH3)3) at the para position. The tert-butyl group is a bulky, sterically hindered alkyl group that can influence the reactivity and physical properties of the molecule. This chemical is primarily used as a synthetic intermediate in the production of various pharmaceuticals, agrochemicals, and other specialty chemicals.

4074-63-9

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4074-63-9 Usage

Pharmaceutical Use

Inhibitor of the enzyme renin

Function

Helps in the regulation of blood pressure and fluid balance

Renin Inhibition

Prevents the conversion of angiotensinogen to angiotsin I

Potential Treatments

Hypertension and heart failure

Physical State

White solid

Solubility

Sparingly soluble in water

Form for Use

Crystalline form for research and pharmaceutical purposes

Check Digit Verification of cas no

The CAS Registry Mumber 4074-63-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,7 and 4 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 4074-63:
(6*4)+(5*0)+(4*7)+(3*4)+(2*6)+(1*3)=79
79 % 10 = 9
So 4074-63-9 is a valid CAS Registry Number.

4074-63-9Relevant academic research and scientific papers

Catalytic Aerobic Oxidation of Alkenes with Ferric Boroperoxo Porphyrin Complex; Reduction of Oxygen by Iron Porphyrin

Kimura, Kento,Kurahashi, Takuya,Matsubara, Seijiro,Murano, Shunpei

supporting information, p. 2493 - 2497 (2021/12/29)

We herein describe the development of a mild and selective catalytic aerobic oxidation process of olefins. This catalytic aerobic oxidation reaction was designed based on experimental and spectroscopic evidence assessing the reduction of atmospheric oxygen using a ferric porphyrin complex and pinacolborane to form a ferric boroperoxo porphyrin complex as an oxidizing species. The ferric boroperoxo porphyrin complex can be utilized as an in-situ generated intermediate in the catalytic aerobic oxidation of alkenes under ambient conditions to form oxidation products that differ from those obtained using previously reported ferric porphyrin catalysis. Moreover, the mild reaction conditions allow chemoselective oxidation to be achieved.

Cationic Palladium(II) Complexes for Catalytic Wacker-Type Oxidation of Styrenes to Ketones Using O2 as the Sole Oxidant

Chai, Hongxin,Cao, Qun,Dornan, Laura M.,Hughes, N. Louise,Brown, Clare L.,Nockemann, Peter,Li, Jiarong,Muldoon, Mark J.

, p. 5604 - 5608 (2017/12/26)

A series of new cationic palladium(II) complexes were prepared and studied for their ability to catalyze the Wacker-type oxidation of styrenes to their corresponding acetophenones using O2 as the sole oxidant. Catalysts are active at room temperature and the study highlights the importance of solvent choice and the need for ligand development in improving catalyst performance.

Cationic palladium(II) complexes as catalysts for the oxidation of terminal olefins to methyl ketones using hydrogen peroxide

Cao, Qun,Bailie, David S.,Fu, Runzhong,Muldoon, Mark J.

supporting information, p. 2750 - 2757 (2015/05/27)

Ligated Pd(II) complexes have been studied for the catalytic oxidation of terminal olefins to their corresponding methyl ketones. The method uses aqueous hydrogen peroxide as the terminal oxidant; a sustainable and readily accessible oxidant. The choice of ligand, counterion and solvent all have a significant effect on catalytic performance and we were able to develop systems which perform well for these challenging oxidations.

METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALKYLPHENOLS

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Page/Page column 25-26, (2008/06/13)

The invention relates to a method for the enantioselective N-acylation of aminoalkylphenols, and to a method for producing enantiomer-pure compounds of formulae (I-S) and/or (I-R).

Synthesis, stereochemistry confirmation and biological activity evaluation of a constituent from Isodon excisus

Xing, Xuechao,Ho, Pei,Bourquin, Geoffroy,Yeh, Li-An,Cuny, Gregory D.

, p. 9961 - 9969 (2007/10/03)

A synthesis and stereochemistry confirmation of a constituent recently isolated from the whole plant Isodon excisus is reported. An enantioselective catalytic boron-mediated reduction of an α-bromoketone was utilized in the key synthetic transformation. The methodology described herein was also used for the synthesis of the natural product's enantiomer and several derivatives. In addition, the compounds were evaluated for inhibitory activity in a caspase induction assay. The natural product was found to be devoid of activity, but several derivatives had moderate inhibitory activity (EC 501 μM).

Aromatic nucleophilic substitutions under microwave irradiation

Salmoria, Gean V.,Dall'Oglio, Evandro,Zucco, Cesar

, p. 2471 - 2474 (2007/10/03)

In order to study the effect of microwave irradiation over aromatic nucleophilic substitutions at atmospheric pressure and in a homogeneous medium, experiments with disubstituted-benzenes and the nucleophiles piperidine and potassium t-butoxide, in refluxing DMSO or DMF, were carried out. The aromatic nucleophilic substitutions under microwave irradiation were 2.7 to 12 times faster than under conventional reflux.

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