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Methyl 2-methyl-2-(4-methylphenyl)propanoate, also known as methyl 3,3-dimethyl-4-(p-tolyl)butanoate, is a chemical compound with the molecular formula C13H18O2. It is an ester compound that is characterized by its pleasant odor and fruity, floral scent.

68682-48-4

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68682-48-4 Usage

Uses

Used in Fragrance and Flavor Industry:
Methyl 2-methyl-2-(4-methylphenyl)propanoate is used as a fragrance and flavoring agent due to its pleasant odor and fruity, floral scent. It is commonly found in perfumes, colognes, and other scented products.
Used as a Solvent:
Methyl 2-methyl-2-(4-methylphenyl)propanoate is also utilized as a solvent in various applications.
Used as an Intermediate in Organic Synthesis:
Methyl 2-methyl-2-(4-methylphenyl)propanoate serves as an intermediate in the synthesis of other organic compounds, including pharmaceuticals and agrochemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 68682-48-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,6,8 and 2 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 68682-48:
(7*6)+(6*8)+(5*6)+(4*8)+(3*2)+(2*4)+(1*8)=174
174 % 10 = 4
So 68682-48-4 is a valid CAS Registry Number.

68682-48-4Relevant academic research and scientific papers

Br?nsted Acid-Catalyzed Intramolecular Hydroarylation of β-Benzylstyrenes

Cai, Xiao,Keshavarz, Amir,Omaque, Justin D.,Stokes, Benjamin J.

supporting information, p. 2626 - 2629 (2017/05/24)

Using triphenylmethylium tetrakis(pentafluorophenyl)borate as a convenient Br?nsted acid precatalyst, β-(α,α-dimethylbenzyl)styrenes are shown to cyclize efficiently to afford a variety of new indanes that possess a benzylic quaternary center. The geminal dimethyl-containing quaternary center is proposed to be necessary to arm the substrate for cyclization through steric biasing.

HETEROARYL INHIBITORS OF PDE4

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Paragraph 0842, (2014/05/24)

The present invention relates to compounds and methods useful as inhibitors of phosphodiesterase 4 (PDE4) for the treatment or prevention of disease.

Synthesis and pharmacological properties of a new hydrophilic and orally bioavailable 5-HT4 antagonist

Brudeli, Bjarne,Moltzau, Lise Román,Nguyen, Cam H.T.,Andressen, Kjetil Wessel,Nilsen, Nils Olav,Levy, Finn Olav,Klaveness, Jo

, p. 629 - 637 (2013/07/11)

5-HT4 receptor antagonists have been suggested to have clinical potential in treatment of atrial fibrillation, diarrhea-prone irritable bowel syndrome and urinary incontinence. Recently, the use of 5-HT4 antagonists has been suggeste

Falcipain inhibitors: Optimization studies of the 2-pyrimidinecarbonitrile lead series

Coterón, Jose M.,Catterick, David,Castro, Julia,Chaparro, María J.,Díaz, Beatriz,Fernández, Esther,Ferrer, Santiago,Gamo, Francisco J.,Gordo, Mariola,Gut, Jiri,De Las Heras, Laura,Legac, Jennifer,Marco, Maria,Miguel, Juan,Mu?oz, Vicente,Porras, Esther,De La Rosa, Juan C.,Ruiz, Jose R.,Sandoval, Elena,Ventosa, Pilar,Rosenthal, Philip J.,Fiandor, Jose M.

supporting information; experimental part, p. 6129 - 6152 (2010/10/21)

Falcipain-2 and falcipain-3 are papain-family cysteine proteases of the malaria parasite Plasmodium falciparum that are responsible for host hemoglobin hydrolysis to provide amino acids for parasite protein synthesis. Different heteroarylnitrile derivatives were studied as potential falcipain inhibitors and therefore potential antiparasitic lead compounds, with the 5-substituted-2- cyanopyrimidine chemical class emerging as the most potent and promising lead series. Through a sequential lead optimization process considering the different positions present in the initial scaffold, nanomolar and subnanomolar inhibitors at falcipains 2 and 3 were identified, with activity against cultured parasites in the micromolar range. Introduction of protonable amines within lead molecules led to marked improvements of up to 1000 times in activity against cultured parasites without noteworthy alterations in other SAR tendencies. Optimized compounds presented enzymatic activities in the picomolar to low nanomolar range and antiparasitic activities in the low nanomolar range.

Palladium-catalyzed-arylattion of esters With chloroarenes

Hama, Takuo,Hartwig, John F.

supporting information; experimental part, p. 1549 - 1552 (2009/04/10)

Palladium-catalyzed α-arylations of esters with chloroarenes are reported. The reactions of chloroarenes with the sodium enolates of tert-butyl propionate and methyl isobutyrate occur in high yields with 0.2-1 mol % of {[P(f-Bu)3]PdBr}2/s

FXR AGONISTS

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Page/Page column 50, (2008/06/13)

Compounds of formula wherein variables are as defined herein and their pharmaceutical compositions and methods of use are disclosed as useful for treating dyslipidemia and related diseases.

2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS

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Page/Page column 61, (2010/10/20)

Substituted heteroaryl nitrile derivatives of Formula (I) processes for their preparation, pharmaceutical compositions comprising such compounds and use of the compounds as cysteine protease inhibitors are provided.

NOVEL ADENINE COMPOUND AND USE THEREOF

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Page/Page column 28, (2010/02/12)

A drug for topically administration which is effective as an antiallergic agent. The drug for topically administration contains as an active ingredient an adenine compound represented by the general formula (1): [wherein ring A represents a 6 to 10 membered, mono or bicyclic, aromatic hydrocarbon or a 5 to 10 membered, mono or bicyclic, aromatic heterocycle containing one to three heteroatoms selected among 0 to 2 nitrogen atoms, 0 or 1 oxygen atom, and 0 or 1 sulfur atom; n is an integer of 0 to 2; m is an integer of 0 to 2; R represents halogeno, (un)substituted alkyl, etc.; X1 represents oxygen, sulfur, NR1 (R1 represents hydrogen or alkyl), or a single bond; Y1 represents a single bond, alkylene; etc.; Y2 represents a single bond, alkylene, etc.; Z represents alkylene; and at least one of Q1 and Q2 represents -COOR10 (wherein R10 represents (un)substituted alkyl, etc.), etc.] or a pharmaceutically acceptable salt of the compound.

Efficient synthesis of α-aryl esters by room-temperature palladium-catalyzed coupling of aryl halides with ester enolates

Jorgensen, Morten,Lee, Sunwoo,Liu, Xiaoxiang,Wolkowski, Joanna P.,Hartwig, John F.

, p. 12557 - 12565 (2007/10/03)

A catalytic amount of Pd(dba)2 ligated by either carbene precursor N,N′-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium (1) or P(t-Bu)3 mediated the coupling of aryl halides and ester enolates to produce α-aryl esters in high yields at room temperature. The reaction was highly tolerant of functionalities and substitution patterns on the aryl halide. Improved protocols for the selective monoarylation of tert-butyl acetate and the efficient arylation of α,α-disubstituted esters were developed with LiNCy2 as base and P(t-Bu)3 as ligand. In addition, tert-butyl esters, such as those of Naproxen and Flurbiprofen, were prepared from tert-butyl propionate and aryl bromides in high yields in the presence of Pd(dba)2 and the hindered, saturated heterocyclic carbene ligand precursor.

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