42113-13-3

Basic information

• Product Name: 4-HYDROXY-3-METHYL-BENZOIC ACID METHYL ESTER
• Synonyms: Methyl 4-hydroxy-3-Methylbenzoic acid;Methyl 3-methyl-4-hydroxybenzoate;methyl 4-hydoxy-3-methylbenzoate
• CAS NO: 42113-13-3
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.18
• Mol File: 42113-13-3.mol
• Article Data: 29

Chemical Properties

• Melting Point: 124-125℃
• Boiling Point: 282.9 °C at 760 mmHg
• Flash Point: 122.2 °C
• Appearance: /
• Density: 1.169 g/cm³
• Vapor Pressure: 0.00191mmHg at 25°C
• Refractive Index: 1.542
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 8.70±0.18(Predicted)
• CAS DataBase Reference: 4-HYDROXY-3-METHYL-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXY-3-METHYL-BENZOIC ACID METHYL ESTER(42113-13-3)
• EPA Substance Registry System: 4-HYDROXY-3-METHYL-BENZOIC ACID METHYL ESTER(42113-13-3)

Safety Data

• Hazardous Substances Data: 42113-13-3(Hazardous Substances Data)

Usage

General Description

4-Hydroxy-3-methyl-benzoic acid methyl ester is a chemical compound that belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. It's a derivative of benzoic acid where a hydroxyl group replaces an additional hydrogen atom and has a methyl group attached to its third carbon atom. It is a specific type of organic compound exhibiting a range of properties and uses in chemical reactions. It has potential uses in research and in the production of various commercial materials. It is typically solid at room temperature and has yet to be fully explored for its potential applications.

InChI:InChI=1/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3

Upstream product

• 499-76-3 4-hydroxy-3-methylbenzoic acid 
• 67-56-1 methanol 
• 15777-70-5 4-hydroxy-3-methylbenzonitrile 
• 201230-82-2 carbon monoxide 
• 95-48-7 ortho-cresol 
• 5471-81-8 methyl 4-iodo-3-methylbenzoate 
• 15761-39-4 N-tert-butoxycarbonyl-proline 
• 6018-89-9 nickel(II) acetate tetrahydrate 
• 13747-35-8 bis[2-hydroxy-3-methylphenyl]methane 
• 18595-14-7 methyl 4-amino-3-methylbenzoate 
• 78881-21-7 4-amino-3-methylbenzonitrile 
• 56279-34-6 (E)-3-methyl-4-methoxy-3-buten-2-one 
• 922-67-8 propynoic acid methyl ester 

Downstream Products

• 160083-66-9 4-(1-ethyl-1-hydroxy-propyl)-2-methyl-phenol 
• 93351-64-5 4-ethoxy-3-methyl-benzoic acid methyl ester 
• 1135439-45-0 methyl 4-[(3-chlorophenyl)methoxy]-3-methyl-benzoate 
• 1165761-23-8 3-methyl-4-(hexylcarbamoyloxy)benzoic acid methyl ester 
• 1194545-63-5 methyl 4-hydroxy-3-iodo-5-methylbenzoate 
• 1321937-79-4 methyl 3-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoate 
• 1321938-03-7 3-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoic acid 
• 1321938-27-5 3-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoyl chloride 
• 502606-21-5 benzyl [2-methyl-1-(3-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoyl)-1H-indol-3-yl]acetate 
• 502606-29-3 benzyl [5-fluoro-2-methyl-1-(3-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoyl)-1H-indol-3-yl]acetate 
• 1373864-74-4 methyl 4-(2,2-difluoroethoxy)-3-methylbenzoate 
• 1439364-88-1 methyl 4-(benzyloxy)-3-methylbenzoate 
• 1447711-14-9 (S)-2-(5-(3-(4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl)pentan-3-yl)-1-methylpyrrole-2-carboxamido)succinic acid 
• 1447710-93-1 2-(5-(3-(4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl)pentan-3-yl)-1-ethylpyrrole-2-carboxamido)acetic acid 

Relevant articles and documents

Design, synthesis and biological evaluation of non-secosteriodal vitamin D receptor ligand bearing double side chain for the treatment of chronic pancreatitis

Chronic pancreatitis (CP) is a serious disease that characterized by the progressive replacement of functional pancreas tissue by fibrotic tissue. Vitamin D receptor (VDR) plays a critical role in the development of CP, since it inhibits excessive deposit

Semi-heterogeneous Dual Nickel/Photocatalysis using Carbon Nitrides: Esterification of Carboxylic Acids with Aryl Halides

Cross-coupling reactions mediated by dual nickel/photocatalysis are synthetically attractive but rely mainly on expensive, non-recyclable noble-metal complexes as photocatalysts. Heterogeneous semiconductors, which are commonly used for artificial photosynthesis and wastewater treatment, are a sustainable alternative. Graphitic carbon nitrides, a class of metal-free polymers that can be easily prepared from bulk chemicals, are heterogeneous semiconductors with high potential for photocatalytic organic transformations. Here, we demonstrate that graphitic carbon nitrides in combination with nickel catalysis can induce selective C?O cross-couplings of carboxylic acids with aryl halides, yielding the respective aryl esters in excellent yield and selectivity. The heterogeneous organic photocatalyst exhibits a broad substrate scope, is able to harvest green light, and can be recycled multiple times. In situ FTIR was used to track the reaction progress to study this transformation at different irradiation wavelengths and reaction scales.

Palladium-Catalyzed Aerobic Oxidative Carbonylation of C–H Bonds in Phenols for the Synthesis of p-Hydroxybenzoates

This work reports the synthesis of p-hydroxybenzoates directly from phenols by oxidative carbonylation of phenolic C–H bonds, proceding through oxidative iodination. The developed methodology is efficient and economically attractive because phenols are cheap and easily available starting materials. This one-pot strategy was expediently applied to the synthesis of a variety of p-hydroxybenzoates by utilizing simple primary and secondary alcohols with different phenols under mild reaction conditions. Advantageously, the procedure has no need for co-catalysts, co-solvents or external ligands. The utilization of molecular oxygen as a terminal oxidant for C–H bond oxidation represents an additional benefit.