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5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER is a chemical compound characterized by the molecular formula C9H8Br2O2. It is a colorless to yellow solid that is soluble in organic solvents such as methanol and ethanol. 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER contains two bromine atoms and a benzoic acid functional group, which contribute to its versatile reactivity and potential applications in various chemical reactions. It is commonly utilized in the research and development of new chemical compounds, particularly as an intermediate in the synthesis of pharmaceuticals and agrochemicals.

79670-17-0

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79670-17-0 Usage

Uses

Used in Pharmaceutical Industry:
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER is used as an intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the creation of new drug molecules. Its bromine atoms and benzoic acid functional group enable it to participate in a range of chemical reactions, making it a valuable component in the development of novel therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER serves as an intermediate in the synthesis of agrochemicals, contributing to the development of new compounds for agricultural applications. Its chemical properties allow it to be incorporated into the structures of pesticides, herbicides, and other agrochemical products to enhance their effectiveness and target specific pests or weeds.
Used in Research and Development:
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER is utilized in research and development for its potential applications in creating new chemical compounds. Its versatile reactivity and the presence of bromine atoms make it a promising candidate for exploring novel chemical reactions and syntheses, leading to the discovery of innovative materials and substances with various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 79670-17-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,6,7 and 0 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 79670-17:
(7*7)+(6*9)+(5*6)+(4*7)+(3*0)+(2*1)+(1*7)=170
170 % 10 = 0
So 79670-17-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3

79670-17-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 5-bromo-2-(bromomethyl)benzoate

1.2 Other means of identification

Product number -
Other names methyl 5-bromo-2-(bromomethyl)benzoate

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:79670-17-0 SDS

79670-17-0Relevant academic research and scientific papers

Discovery of 2H-chromone-4-one based sulfonamide derivatives as potent retinoic acid receptor-related orphan receptor γt inverse agonists

Assani, Israa,Chen, Lei,Huang, Ri-Zhen,Jin, Qiu,Kang, Yang-yang,Li, Yan,Liao, Zhi-Xin,Lv, Shen-Min,Su, Mei,Sun, Bo,Wang, Chun-Gu,Wang, De-Zhong,Wang, Jia-Wei,Wang, Mu-Xuan,Wu, Xian-Zhi,Zhao, Shi-Feng

, (2022/01/06)

Retinoic acid receptor related orphan receptor γt (RORγt), identified as the essential functional regulator of IL-17 producing Th17 cells, is an attractive drug target for treating autoimmune diseases. Starting from the reported GSK2981278 (Phase II), we structurally modified and synthesized a series of 2H-chromone-4-one based sulfonamide derivatives as novel RORγt inverse agonists, which significantly improved their human metabolic stabilities while maintaining a potent RORγt inverse agonist profile. Efforts in reducing the lipophilicity and improving the LLE values led to the discovery of c9, which demonstrated potent RORγt inverse agonistic activity and consistent metabolic stability. During in vivo studies, oral administration of compound c9 exhibited a robust and dose-dependent inhibition of IL-17A cytokine expression and significantly lessened the skin inflammatory symptoms in the mouse imiquimod-induced skin inflammation model. Docking analysis of the binding mode revealed that c9 can suitably occupy the active pocket, and the introduction of the morpholine pyridine group can interact with Leu396, His479, and Cys393. Thus, compound c9 was selected as a preclinical compound for treating Th17-driven autoimmune diseases.

COMPOUNDS AND USES THEREOF

-

, (2021/08/06)

The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

COMPOUNDS AND USES THEREOF

-

Page/Page column 71, (2021/08/06)

The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

Palladium-Catalyzed Tandem Carbonylative Diels-Alder Reaction for Construction of Bridged Polycyclic Skeletons

Wang, Siyuan,Zhou, Yangkun,Huang, Hanmin

, p. 2125 - 2129 (2021/04/05)

A palladium-catalyzed tandem carbonylative lactonization and Diels-Alder cycloaddition reaction between aldehyde-tethered benzylhalides and alkenes has been developed. A range of alkenes and aldehyde-tethered benzylhalides bearing different substituents can be successfully transformed into the corresponding bridged polycyclic compounds in good yields. This strategy provides a unique approach to complex lactone-containing bridged polycyclic compounds.

Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate

Lai, Huifang,Lin, Jin,Xu, Jiexin,Zha, Daijun

, p. 7621 - 7626 (2021/09/22)

Isoindolinones are ubiquitous structural motifs in natural products and pharmaceuticals. Establishing an efficient method for structural modification of isoindolinones could significantly facilitate new drug development. Herein, we describe copper-promoted direct amidation of isoindolinone scaffolds mediated by sodium persulfate. The method exhibits mild reaction conditions and high site-selectivity, and enables the structural modification of the drug indobufen ester with various amides with yields of 49 to 98%. It is also gram-scalable. Additionally, the reaction mechanism appears to involve a radical and a carbocationic pathway.

Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase

Bagal, Sharan K.,Barton, Peter,Bloecher, Andrew,Borodovsky, Alexandra,Code, Erin,Fillery, Shaun M.,Gregson, Clare,Hsu, Jessie Hao-Ru,Kawatkar, Sameer P.,Li, Chengzhi,Longmire, David,Nai, Youfeng,Nash, Samuel C.,O' Donovan, Daniel H.,Pike, Andrew,Pike, Kurt G.,Rawlins, Phillip B.,Read, Jon A.,Robinson, James,Shen, Minhui,Tang, Jia,Wang, Peng,Williamson, Beth,Woods, Haley

, p. 17146 - 17183 (2021/12/06)

Aberrant activity of the histone methyltransferase polycomb repressive complex 2 (PRC2) has been linked to several cancers, with small-molecule inhibitors of the catalytic subunit of the PRC2 enhancer of zeste homologue 2 (EZH2) being recently approved fo

Photocatalytic continuous bromination method

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Paragraph 0062-0063, (2021/04/03)

The invention provides a photocatalytic continuous bromination method. The method comprises the following steps: carrying out a first-stage photocatalytic continuous bromination reaction on a materialcontaining an aromatic substrate with a structural general formula I and a bromination reagent in a first continuous illumination reactor to form a first continuous system; overflowing the obtained first continuous system into a second continuous illumination reactor for a second-stage photocatalytic continuous bromination reaction to form a second continuous system; and purifying the second continuous system, wherein the structural general formula I is shown in the specification, R is selected from any one of carboxyl, ester group, NO2, CN, C1 to C8 alkyl and alkoxy, and R1 is C1 to C8 alkyl; n is 1 or 2; X is N or C, and the bromination reagent is Nbromo succinimide or dibromohydantoin. According to the bromination reagent, the selectivity of a product is improved, so the yield of the product is improved; the photocatalytic continuous bromination reaction of the two stages effectively relieves the reaction heat accumulation, and enhances the yield of the target product.

ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER

-

Paragraph 0104-0106, (2021/06/25)

The present invention relates to an isoindolin-1-one derivative, a method for preparing the same, and a pharmaceutical composition comprising the same as an active ingredient for preventing or treating cancer, wherein the isoindolin-1-one derivative exhib

COMPOUNDS AND USES THEREOF

-

Page/Page column 31, (2021/08/06)

The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

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