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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. It is 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. This specific type of organic compound exhibits a range of properties and uses in chemical reactions, with potential applications in research and the production of various commercial materials. It is typically solid at room temperature and has yet to be fully explored for its potential applications.

42113-13-3

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42113-13-3 Usage

Uses

Used in Chemical Research:
4-Hydroxy-3-methyl-benzoic acid methyl ester is used as a research compound for studying its chemical properties and potential interactions with other compounds. Its unique structure allows for investigation into its reactivity and possible applications in the synthesis of other organic compounds.
Used in Pharmaceutical Industry:
4-Hydroxy-3-methyl-benzoic acid methyl ester is used as an intermediate in the synthesis of pharmaceutical compounds. Its chemical structure may contribute to the development of new drugs or the improvement of existing ones, given its potential to form esters and other derivatives.
Used in Material Science:
4-Hydroxy-3-methyl-benzoic acid methyl ester is used as a component in the development of new materials, such as polymers and coatings. Its properties may be harnessed to create materials with specific characteristics, such as improved stability or enhanced reactivity.
Used in Agricultural Applications:
4-Hydroxy-3-methyl-benzoic acid methyl ester is used as a chemical in the development of agrochemicals, such as pesticides or herbicides. Its potential reactivity and interaction with other compounds may contribute to the creation of more effective and environmentally friendly products.
Used in Flavor and Fragrance Industry:
4-Hydroxy-3-methyl-benzoic acid methyl ester is used as a raw material in the production of flavor and fragrance compounds. Its unique chemical structure may contribute to the creation of new scents or tastes, enhancing the variety of products available in the market.

Check Digit Verification of cas no

The CAS Registry Mumber 42113-13-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,1,1 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 42113-13:
(7*4)+(6*2)+(5*1)+(4*1)+(3*3)+(2*1)+(1*3)=63
63 % 10 = 3
So 42113-13-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3

42113-13-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-hydroxy-3-methylbenzoate

1.2 Other means of identification

Product number -
Other names methyl 4-hydroxy-3-methylbenzoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:42113-13-3 SDS

42113-13-3Relevant academic research and scientific papers

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

Kang, Zi-Sheng,Wang, Cong,Han, Xiao-Lin,Du, Jun-Jie,Li, Yan-Yi,Zhang, Can

, p. 541 - 553 (2018)

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

Catalytic Activation of Unstrained C(Aryl)-C(Alkyl) Bonds in 2,2′-Methylenediphenols

Dong, Guangbin,Ratchford, Benjamin L.,Xue, Yibin,Zhang, Rui,Zhu, Jun

, p. 3242 - 3249 (2022/02/23)

Catalytic activation of unstrained and nonpolar C-C bonds remains a largely unmet challenge. Here, we describe our detailed efforts in developing a rhodium-catalyzed hydrogenolysis of unstrained C(aryl)-C(alkyl) bonds in 2,2′-methylenediphenols aided by removable directing groups. Good yields of the monophenol products are obtained with tolerating a wide range of functional groups. In addition, the reaction is scalable, and the catalyst loading can be reduced to as low as 0.5 mol %. Moreover, this method proves to be effective to cleave C(aryl)-C(alkyl) linkages in both models of phenolic resins and commercial novolacs resins. Finally, detailed experimental and computational mechanistic studies show that with C-H activation being a competitive but reversible off-cycle reaction, this transformation goes through a directed C(aryl)-C(alkyl) oxidative addition pathway.

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

Pieber, Bartholom?us,Malik, Jamal A.,Cavedon, Cristian,Gisbertz, Sebastian,Savateev, Aleksandr,Cruz, Daniel,Heil, Tobias,Zhang, Guigang,Seeberger, Peter H.

supporting information, p. 9575 - 9580 (2019/06/25)

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.

Discovery of novel nonsteroidal VDR agonists with novel diarylmethane skeleton for the treatment of breast cancer

Wang, Cong,Wang, Bin,Hou, Siyuan,Xue, Lingjing,Kang, Zisheng,Du, Junjie,Li, Yanyi,Liu, Xuwentai,Wang, Qianqian,Zhang, Can

, p. 787 - 803 (2019/01/04)

Vitamin D receptor (VDR) is recognized as a potential target for the treatment of breast cancer which is the most common malignancy among women in the world. In this study, a series of nonsecosteroidal VDR agonists with a novel diarylmethane skeleton was

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

Gaikwad, Vinayak V.,Bhanage, Bhalchandra M.

, p. 2877 - 2881 (2018/06/21)

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.

Further Developments of the Phenyl-Pyrrolyl Pentane Series of Nonsteroidal Vitamin D Receptor Modulators as Anticancer Agents

Hao, Meixi,Hou, Siyuan,Xue, Lingjing,Yuan, Haoliang,Zhu, Lulu,Wang, Cong,Wang, Bin,Tang, Chunming,Zhang, Can

supporting information, p. 3059 - 3075 (2018/04/23)

The vitamin D3 receptor (VDR), which belongs to the nuclear-receptor superfamily, is a potential molecular target for anticancer-drug discovery. In this study, a series of nonsteroidal vitamin D mimics with phenyl-pyrrolyl pentane skeletons wit

Double-benzene-ring compound as well as preparation method and medicinal purpose thereof

-

Paragraph 0109-0112, (2018/07/06)

The invention relates to a double-benzene-ring compound as well as a preparation method and a medical purpose thereof, and belongs to the field of medicinal chemistry. The invention also relates to the preparation method of the compound, a medicinal compo

N-substituted imidazole carboxylic ester compound, as well as preparation and medicinal application thereof

-

Paragraph 0095; 0096; 0097; 0098; 0099; 0100, (2018/01/13)

The invention relates to a compound or stereisomer as shown in a general formula (I), solvate, pharmaceutically acceptable salt or eutectic crystal, as well as composition, preparation method and medicinal application thereof. The general formula (I) is as shown in the specification, and the definition of each substituent group is the same as that in the specification.

HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS

-

Page/Page column 96; 97, (2017/11/04)

Disclosed are compounds having the formula (I) wherein Ra, R1, R2, R3, R4, R5, R6, R7, and R8, are as defined herein, or a salt, particularly a pharmaceutic

HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF

-

Paragraph 0229; 0230, (2015/04/15)

The present invention provides a heterocyclic group contained amino-methanol derivative, and salt, a preparation method and use thereof, and belongs to the medical field. The heterocyclic group contained amino-methanol derivative and the salt thereof of the present invention are used for preparing medicines for immune suppression and for the treatment of organ transplant rejection, or medicines for treating immune mediated inflammatory diseases, such as multiple sclerosis, systemic lupus erythematosus and rheumatoid arthritis.

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