35598-05-1

Basic information

• Product Name: methyl 4-methoxy-2-methylbenzoate
• Synonyms: methyl 4-methoxy-2-methylbenzoate;Benzoic acid, 4-Methoxy-2-Methyl-, Methyl ester
• CAS NO: 35598-05-1
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20048
• Mol File: 35598-05-1.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 98°C/0.5mmHg(lit.)
• Appearance: /
• Density: 1.075±0.06 g/cm3(Predicted)
• Refractive Index: 1.5360 to 1.5400
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: methyl 4-methoxy-2-methylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-methoxy-2-methylbenzoate(35598-05-1)
• EPA Substance Registry System: methyl 4-methoxy-2-methylbenzoate(35598-05-1)

Safety Data

• Hazardous Substances Data: 35598-05-1(Hazardous Substances Data)

Usage

General Description

Methyl 4-methoxy-2-methylbenzoate is a chemical compound with the molecular formula C10H12O3. It is commonly used in the fragrance and flavor industry as a synthetic aroma compound, adding a sweet and fruity scent to various products. This chemical is often found in perfumes, colognes, and scented lotions, as well as in food and beverage items to impart a pleasing aroma. Methyl 4-methoxy-2-methylbenzoate has a pale yellow color and a fruity, slightly floral odor, making it a popular choice for enhancing the sensory experience of consumer goods. Additionally, it is used in the production of pharmaceuticals and as an intermediate in organic synthesis.

Upstream product

• 108-31-6 maleic anhydride 
• 91416-36-3 (4-Methoxy-6-methylene-cyclohexa-2,4-dienylidene)-methanone 
• 24826-74-2 1-(4-methoxy-2-methylphenyl)ethanone 
• 67-56-1 methanol 
• 4685-47-6 3,4-dimethylanisole 
• 6245-57-4 4-methoxy-2-methylbenzoic acid 
• 74-88-4 methyl iodide 
• 578-39-2 4-hydroxy-2-methylbenzoic acid 
• 99548-55-7 4-bromo-2-methyl-benzoic acid methyl ester 
• 52289-56-2 1-(bromomethyl)-4-methoxy-2-methylbenzene 
• 67023-02-3 (4-methoxyphenyl)(4-methylpiperazin-1-yl)methanone methoxypiperamide 
• 100-07-2 4-methoxy-benzoyl chloride 
• 100-84-5 1-methoxy-3-methyl-benzene 
• 22246-27-1 4-methoxybenzocyclobutenone 

Downstream Products

• 84658-09-3 4-methoxy-2-methylbenzyl chloride 
• 1482522-98-4 3-[(2-aminophenyl)amino]-8-methoxydibenzo[b,e]oxepin-11(6H)-one 
• 1482522-99-5 3-[(2,4-difluorophenyl)amino]-8-(2-morpholin-4-ylethoxy)-dibenzo[b,e]oxepin-11(6H)-one 
• 1482523-00-1 3-[(2-aminophenyl)amino]-8-(2-morpholin-4-ylethoxy)-dibenzo[b,e]oxepin-11(6H)-one 
• 1314302-14-1 4-methoxy-N-(3-(2-methylthiazol-4-yl)phenyl)-2-(morpholinomethyl)benzamide 
• 1314250-30-0 methyl 4-methoxy-2-(morpholinomethyl)benzoate 
• 1314250-28-6 4-methoxy-2-(morpholinomethyl)benzoic acid 
• 1392206-08-4 1-[1-(2-bromoethoxy)-1,1-bis(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene 
• 1392206-74-4 (3S)-1-[2-[1-(4-methoxy-2-methylphenyl)-1,1-bis(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid 
• 1392206-51-7 ethyl (3S)-1-{2-[1-(4-methoxy-2-methylphenyl)-1,1-bis(4-methoxyphenyl)methoxy]ethyl}piperidine-3-carboxylate 
• 1392205-95-6 1-(4-methoxy-2-methylphenyl)-1,1-bis(4-methoxyphenyl)methanol 
• 22246-66-8 2,3-dihydro-5-methoxy-1H-isoindol-1-one 
• 1033809-84-5 5-(4-amino-2-chlorophenoxy)-2,3-dihydro-1H-isoindol-1-one 
• 1033809-83-4 5-(2-chloro-4-nitrophenoxy)-2,3-dihydro-1H-isoindol-1-one 

Relevant articles and documents

Preparation of Functionalized Methoxybenzene Derivatives via Regioselective Homolytic Monobromination of Dimethylmethoxybenzenes

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Electro-Oxidative Selective Esterification of Methylarenes and Benzaldehydes

A mild and green electro-oxidative protocol to construct aromatic esters from methylarenes and alcohols is herein reported. Importantly, the reaction is free of metals, chemical oxidants, bases, acids, and operates at room temperature. Moreover, the design of the electrolyte was found critical for the oxidation state and structure of the coupling products, a rarely documented effect. This electro-oxidative coupling process also displays exceptional tolerance of many fragile easily oxidized functional groups such as hydroxy, aldehyde, olefin, alkyne, as well as neighboring benzylic positions. The enantiomeric enrichment of some chiral alcohols is moreover preserved during this electro-oxidative coupling reaction, making it overall a promising synthetic tool.

Series of structural and functional models for the ES (enzyme-substrate) complex of the Co(II)-containing quercetin 2,3-dioxygenase

A series of mononuclear CoII-flavonolate complexes [Co IILR(fla)] (LRH = 2-{[bis(pyridin-2-ylmethyl) amino]methyl}-p/m-R-benzoic acid; R = p-OMe (1), p-Me (2), m-Br (4), and m-NO2 (5); fla = flavonolate) were designed and synthesized as structural and functional models for the ES (enzyme-substrate) complexes to mimic the active site of the Co(II)-containing quercetin 2,3-dioxygenase (Co-2,3-QD). The metal center Co(II) ion in each complex shows a similar distorted octahedral geometry. The model complexes display high enzyme-type dioxygenation reactivity (oxidative O-heterocyclic ring opening of the coordinated substrate flavonolate) at low temperature, presumably due to the attached carboxylate group in the ligands. The reactivity exhibits a substituent group dependent order of -OMe (1) > -Me (2) > -H (3)14b > -Br (4) > -NO2 (5), and the Hammett plot is linear (ρ = -0.78). This can be explained as the electronic nature of the substituent group in the ligands may influence the conformation and redox potential of the bound flavonolate and finally bring different reactivity. The structures, properties, and reactivity of the model complexes show some dependence on the substituent group in the supporting model ligands, and there is some relationship among them. This study is the first example of a series of structural and functional ES models of Co-2,3-QD, with focus on the effects of the electronic nature of substituted groups and the carboxylate group of the ligands to the dioxygenation reactivity, that will provide important insights into the structure-property-reactivity relationship and the catalytic role of Co-2,3-QD.

Metabolically stable dibenzo[ b, e ]oxepin-11(6 H)-ones as highly selective p38 MAP kinase inhibitors: Optimizing anti-cytokine activity in human whole blood

Five series of metabolically stable disubstituted dibenzo[b,e]oxepin-11(6H) -ones were synthesized and tested in a p38α enzyme assay for their inhibition of tumor necrosis factor-α (TNF-α) release in human whole blood. Compared to the monosubstituted dibenzo[b,e]oxepin-11(6H)-one derivatives, it has been shown that the additional introduction of hydrophilic residues at position 9 leads to a substantial improvement of the inhibitory potency and metabolic stability. Using protein X-ray crystallography, the binding mode of the disubstituted dibenzoxepinones and the induction of a glyince flip in the hinge region were confirmed. The most potent compound of this series, 32e, shows an outstanding biological activity on isolated p38α, with an IC50 value of 1.6 nM, extraordinary selectivity (by a factor >1000, Kinase WholePanelProfiler), and low ATP competitiveness. The ability to inhibit the release of TNF-α from human whole blood was optimized down to an IC50 value of 125 nM. With the promising dibenzoxepinone inhibitor 3i, a pharmacokinetic study in mice was conducted.