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1,3-Benzenedicarboxylic acid, 2-broMo-, 1,3-diMethyl ester, also known as bromophthalide or 2-bromoisophthalic acid, 1,3-dimethyl ester, is an organic compound characterized by the chemical formula C10H9BrO4. It is a white to off-white solid with a slight odor and is insoluble in water. 1,3-Benzenedicarboxylic acid, 2-broMo-, 1,3-diMethyl ester is primarily used in research and development and serves as an intermediate for pharmaceuticals and agrochemicals, as well as in the synthesis of other organic compounds.

39622-80-5

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39622-80-5 Usage

Uses

Used in Pharmaceutical Industry:
1,3-Benzenedicarboxylic acid, 2-broMo-, 1,3-diMethyl ester is used as an intermediate for the development of pharmaceuticals, contributing to the synthesis of various medicinal compounds due to its unique chemical structure and reactivity.
Used in Agrochemical Industry:
In the agrochemical sector, 1,3-Benzenedicarboxylic acid, 2-broMo-, 1,3-diMethyl ester is utilized as an intermediate in the production of agrochemicals, playing a role in the formulation of pesticides and other agricultural chemicals to enhance crop protection and yield.
Used in Organic Chemistry Research:
1,3-Benzenedicarboxylic acid, 2-broMo-, 1,3-diMethyl ester is employed as a reagent in organic chemistry, facilitating various chemical reactions and experiments. Its properties make it a valuable tool for researchers in the field of organic synthesis and compound development.
Used in Synthesis of Complex Compounds:
1,3-Benzenedicarboxylic acid, 2-broMo-, 1,3-diMethyl ester serves as a starting material for the synthesis of more complex organic compounds, enabling the creation of a wide range of molecules with diverse applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 39622-80-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,6,2 and 2 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 39622-80:
(7*3)+(6*9)+(5*6)+(4*2)+(3*2)+(2*8)+(1*0)=135
135 % 10 = 5
So 39622-80-5 is a valid CAS Registry Number.

39622-80-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Dimethyl 2-bromoisophthalate

1.2 Other means of identification

Product number -
Other names 2-Brom-citraconsaeure-dimethylester

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:39622-80-5 SDS

39622-80-5Relevant articles and documents

Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries

Imada, Yasuyuki,Nakano, Hideyuki,Furukawa, Ko,Kishi, Ryohei,Nakano, Masayoshi,Maruyama, Hitoshi,Nakamoto, Masaaki,Sekiguchi, Akira,Ogawa, Masahiro,Ohta, Toshiaki,Yamamoto, Yohsuke

, p. 479 - 482 (2016)

Using a newly prepared tridentate ligand, we isolated hypervalent sulfur and selenium radicals for the first time and characterized their structures. X-ray crystallography, electron spin resonance spectroscopy, and density functional theory calculations r

Fully bridged triphenylamine derivatives as color-tunable thermally activated delayed fluorescence emitters

Zou, Sheng-Nan,Peng, Chen-Chen,Yang, Sheng-Yi,Qu, Yang-Kun,Yu, You-Jun,Chen, Xing,Jiang, Zuo-Quan,Liao, Liang-Sheng

, p. 958 - 962 (2021/02/01)

Three emissive bridged-triphenylamine derivatives are designed and synthesized by incorporating carbon (DQAO), oxygen (OQAO), and sulfur (SQAO) atoms with two carbonyl groups. The fully bridged geometry and unique frontier molecular orbital distribution r

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS

-

, (2020/10/20)

Compound (I), deuterated derivatives, and pharmaceutically acceptable salts of any of the foregoing are disclosed. Methods of treating cystic fibrosis using these compounds are also disclosed.

A NEW TYPE OF ANTITUMOR COMPOUNDS: DERIVATIVES OF 7-PROPANAMIDE SUBSTITUTED BENZOXABOROLE

-

, (2020/10/09)

The present disclosure relates to derivatives of 7-propanamide substituted benzoxaborole and their preparation and use. The structural general formula of the derivatives is (formula).The derivatives are used for the preparation of a medicament for the pre

DERIVATIVES OF 7-FATTY ACID SUBSTITUTED BENZOXABOROLE AND THEIR PREPARATION AND USE

-

, (2019/08/29)

The present disclosure relates to derivatives of 7-fatty acid substituted benzoxaborole and their preparation and use. The structural general formula of the derivatives is (I). The derivatives are used for the preparation of a medicament for the preventio

Design, synthesis, and structure-activity relationship of 7-propanamide benzoxaboroles as potent anticancer agents

Zhang, Jiong,Zhang, Jinyi,Hao, Guiyun,Xin, Weixiang,Yang, Fei,Zhu, Mingyan,Zhou, Huchen

, p. 6765 - 6784 (2019/08/20)

Benzoxaboroles, as a novel class of bioactive molecules with unique physicochemical properties, have been shown to possess excellent antimicrobial activities with tavaborole approved in 2014 as an antifungal drug. Although urgently needed, the investigation of benzoxaboroles as anticancer agents has been lacking so far. In this study, we report the design, synthesis, and anticancer structure-activity relationship of a series of 7-propanamide benzoxaboroles. Compounds 103 and 115 showed potent activity against ovarian cancer cells with IC50 values of 33 and 21 nM, respectively. Apoptosis was induced by these compounds and colony formation was effectively inhibited. Furthermore, they also showed excellent efficacy in ovarian tumor xenograft mouse model.

A Molecular Torsion Balance Study: A Nearby Anionic Group Exerts Little Influence on Hydrophobic Interactions between Nonpolar Surfaces

Ling, Xiujun,Wilcox, Craig S.

, p. 14010 - 14014 (2019/11/14)

Polar groups have a solvent ordering effect on water and therefore may affect hydrophobic binding energies for nearby lipophilic surfaces. This would mean that determinations of excess surface free energy association energies require consideration of nearby polar functional groups. This paper reports results of a study to measure this possible effect. It was concluded from the models used here that an anionic polar group nearby a hydrophobic surface has little or no effect on the magnitude of hydrophobic association.

Evaluation of substituted ebselen derivatives as potential trypanocidal agents

Gordhan, Heeren M.,Patrick, Stephen L.,Swasy, Maria I.,Hackler, Amber L.,Anayee, Mark,Golden, Jennifer E.,Morris, James C.,Whitehead, Daniel C.

, p. 537 - 541 (2017/01/17)

Human African trypanosomiasis is a disease of sub-Saharan Africa, where millions are at risk for the illness. The disease, commonly referred to as African sleeping sickness, is caused by an infection by the eukaryotic pathogen, Trypanosoma brucei. Previously, a target-based high throughput screen revealed ebselen (EbSe), and its sulfur analog, EbS, to be potent in vitro inhibitors of the T. brucei hexokinase 1 (TbHK1). These molecules also exhibited potent trypanocidal activity in vivo. In this manuscript, we synthesized a series of sixteen EbSe and EbS derivatives bearing electron-withdrawing carboxylic acid and methyl ester functional groups, and evaluated the influence of these substituents on the biological efficacy of the parent scaffold. With the exception of one methyl ester derivative, these modifications ablated or blunted the potent TbHK1 inhibition of the parent scaffold. Nonetheless, a few of the methyl ester derivatives still exhibited trypanocidal effects with single-digit micromolar or high nanomolar EC50values.

Benzo-borazol-7-position-fatty-acid ramification and preparing method and medicine application thereof

-

, (2017/10/06)

The invention relates to a benzo-borazol-7-position-fatty-acid ramification and a preparing method and application thereof. The general formula of the ramification is defined in the specification, and the ramification is used for preparing medicine for pr

Structure-based design of novel naproxen derivatives targeting monomeric nucleoprotein of Influenza A virus

Tarus, Bogdan,Bertrand, Hélène,Zedda, Gloria,Di Primo, Carmelo,Quideau, Stéphane,Slama-Schwok, Anny

, p. 1899 - 1912 (2015/02/19)

The nucleoprotein (NP) binds the viral RNA genome as oligomers assembled with the polymerase in a ribonucleoprotein complex required for transcription and replication of influenza A virus. Novel antiviral candidates targeting the nucleoprotein either induced higher order oligomers or reduced NP oligomerization by targeting the oligomerization loop and blocking its insertion into adjacent nucleoprotein subunit. In this study, we used a different structure-based approach to stabilize monomers of the nucleoprotein by drugs binding in its RNA-binding groove. We recently identified naproxen as a drug competing with RNA binding to NP with antiinflammatory and antiviral effects against influenza A virus. Here, we designed novel derivatives of naproxen by fragment extension for improved binding to NP. Molecular dynamics simulations suggested that among these derivatives, naproxen A and C0 were most promising. Their chemical synthesis is described. Both derivatives markedly stabilized NP monomer against thermal denaturation. Naproxen C0 bound tighter to NP than naproxen at a binding site predicted by MD simulations and shown by competition experiments using wt NP or single-point mutants as determined by surface plasmon resonance. MD simulations suggested that impeded oligomerization and stabilization of monomeric NP is likely to be achieved by drugs binding in the RNA grove and inducing close to their binding site conformational changes of key residues hosting the oligomerization loop as observed for the naproxen derivatives. Naproxen C0 is a potential antiviral candidate blocking influenza nucleoprotein function.

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