108593-44-8

Basic information

• Product Name: 3-METHOXY-5-METHYL-BENZOIC ACID METHYL ESTER
• Synonyms: 3-METHOXY-5-METHYL-BENZOIC ACID METHYL ESTER;Methyl 3-Methoxy-5-Methylbenzoate;Benzoic acid, 3-Methoxy-5-Methyl-, Methyl ester;Methyl 3-methyl-5-(methyloxy)benzoate;Methyl 5-methoxy-3-methylbenzoate
• CAS NO: 108593-44-8
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20048
• Mol File: 108593-44-8.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 270.8±20.0 °C(Predicted)
• Appearance: /
• Density: 1.075±0.06 g/cm3(Predicted)
• Refractive Index: 1.502
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-METHOXY-5-METHYL-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHOXY-5-METHYL-BENZOIC ACID METHYL ESTER(108593-44-8)
• EPA Substance Registry System: 3-METHOXY-5-METHYL-BENZOIC ACID METHYL ESTER(108593-44-8)

Safety Data

• Hazardous Substances Data: 108593-44-8(Hazardous Substances Data)

Usage

General Description

3-Methoxy-5-methyl-benzoic acid methyl ester, also known as Methyl 3-methoxy-5-methylbenzoate, is a chemical compound with the molecular formula C10H12O3. It is a methyl ester derivative of 3-methoxy-5-methyl-benzoic acid, and is commonly used in the production of perfumes, flavors, and pharmaceuticals. 3-METHOXY-5-METHYL-BENZOIC ACID METHYL ESTER is a colorless to pale yellow liquid with a sweet and fruity odor. It is often used as a fragrance ingredient in cosmetic and personal care products, and as a flavoring agent in food and beverage applications. Additionally, it has potential applications in the pharmaceutical industry due to its aromatic and medicinal properties.

InChI:InChI=1/C10H12O3/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6H,1-3H3

Upstream product

• 67-56-1 methanol 
• 62089-34-3 3-methoxy-5-methylbenzoic acid 
• 672-89-9 4-methoxy-6-methyl-2H-pyran-2-one 
• 922-67-8 propynoic acid methyl ester 
• 585-81-9 3-hydroxy-5-methylbenzoic acid 
• 74-88-4 methyl iodide 
• 2615-71-6 3-hydroxy-5-methyl-benzoic acid methyl ester 
• 95-92-1 oxalic acid diethyl ester 
• 67-64-1 acetone 

Downstream Products

• 119650-46-3 2-Iodo-3-methoxy-5-methyl-benzoic acid methyl ester 
• 133357-62-7 methyl 3-(bromomethyl)-5-methoxybenzoate 
• 119650-44-1 (3-methoxy-5-methylphenyl)methanol 
• 913602-79-6 1-(2,2-dimethyl-propionyloxymethyl)-3-methoxy-5-methyl-cyclohexa-2,5-dienecarboxylic acid methyl ester 
• 90674-26-3 3-methoxy-5-methyl-benzaldehyde 
• 119650-51-0 1-benzyloxy-10,12-dimethoxy-8-methyl-6H-benzo[d]naphtho[1,2-b]pyran-6-one 
• 199612-65-2 2-iodo-3-methoxy-5-methylbenzaldehyde 
• 119650-45-2 (2-iodo-3-methoxy-5-methylphenyl)methanol 
• 119650-49-6 2-(5-Benzyloxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-3-methoxy-5-methyl-benzoic acid methyl ester 
• 119650-48-5 1-Benzyloxy-4b,10-dimethoxy-8-methyl-4bH-dibenzo[c,h]chromene-6,12-dione 
• 119650-47-4 2-(5-Benzyloxy-1,4-dimethoxy-naphthalen-2-yl)-3-methoxy-5-methyl-benzoic acid methyl ester 
• 119650-50-9 1-Benzyloxy-12-hydroxy-10-methoxy-8-methyl-dibenzo[c,h]chromen-6-one 
• 133344-03-3 3-Ethyl-5-methoxy-benzoic acid methyl ester 
• 133344-02-2 2-iodo-3-methoxy-5-methylbenzoic acid 

Relevant articles and documents

Synthesis and biological evaluation of new pyrazol-4-ylpyrimidine derivatives as potential ROS1 kinase inhibitors

With the aim of discovering potent and selective kinase inhibitors targeting ROS1 kinase, we designed, synthesized and screened a series of new pyrazol-4-ylpyrimidine derivatives based on our previously discovered lead compound KIST301072. Compounds 6a-e and 7a-e showed good to excellent activities against ROS1 kinase, and seven out of tested compounds were more potent than KIST301072. Compound 7c was the most potent with IC50 of 24 nM. Moreover, compound 7c showed ROS1 inhibitory selectivity of about 170-fold, relative to that of ALK sharing about 49% amino acid sequence homology with ROS1 kinase in the kinase domain. In silico modeling of 7c at ROS1 active site revealed some essential features for ROS1 inhibitory activity. Based on this study as well as the previous studies, we could build a hypothetical model predicting the required essential features for ROS1 inhibitory activity. The model validity has been tested through a second set of compounds.

PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE

Disclosed herein are novel pyrazole compounds, pharmaceutically acceptable salts thereof, a method for preparing the same, and uses thereof as anticancer agents.

New phenylaminopyrimidine (PAP) anticancer lead compound with high efficacy: Design, synthesis, and in vitro screening

Phenylaminopyrimidines represent a large group of new selective anticancer agents, the majority of which exert their action through the inhibition of specific kinases. In this study, a new series of N-substituted-2- aminopyrimidines has been designed and synthesized. A selected group of the synthesized derivatives was screened at a single dose concentration of 10 μM over a panel of 60 cancer cell-lines. Compound 12e has showed great inhibitory and strong lethal effect over almost all of the 60 cell-lines and accordingly was further tested in a 5-dose testing mode to determine its IC50 values, where it showed great efficacies with intermediate potencies over the tested cell-lines. The compound was also tested over a panel of 52 kinases to explore its kinase inhibitory profile, and was found to be a selective but moderate inhibitor over FLT3 kinase.