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Methyl 4-bromo-3,5-dihydroxy-benzoate, also known as bromohydroxybenzoic acid methyl ester, is a chemical compound with the molecular formula C8H7BrO4. It is a derivative of benzoic acid that contains a bromine atom and two hydroxyl groups. methyl 4-bromo-3,5-dihydroxy-benzoate is characterized by its potential biological activities, such as anti-inflammatory and antioxidant properties, and is commonly used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Methyl 4-bromo-3,5-dihydroxy-benzoate also serves as a reagent in organic chemistry and is commercially available for research and industrial applications.

34126-16-4

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34126-16-4 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 4-bromo-3,5-dihydroxy-benzoate is used as an intermediate in the synthesis of pharmaceuticals for its versatile chemical structure that can be further modified to create various medicinal compounds.
Used in Agrochemical Production:
In the agrochemical industry, methyl 4-bromo-3,5-dihydroxy-benzoate is utilized as a building block in the development of new agrochemicals, potentially contributing to pest control and crop protection.
Used in Organic Chemistry Research:
As a reagent in organic chemistry, methyl 4-bromo-3,5-dihydroxy-benzoate is employed in various research applications to explore its chemical properties and reactions, aiding in the advancement of organic synthesis techniques.
Used in Biological Activity Studies:
Methyl 4-bromo-3,5-dihydroxy-benzoate is used in biological research as a compound with potential anti-inflammatory and antioxidant properties, which can be further investigated for therapeutic applications in medicine.
Used in Commercial Applications:
methyl 4-bromo-3,5-dihydroxy-benzoate is also used in commercial applications, being available for purchase by researchers and industries for a variety of purposes, including the development of new products and technologies that leverage its chemical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 34126-16-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,4,1,2 and 6 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 34126-16:
(7*3)+(6*4)+(5*1)+(4*2)+(3*6)+(2*1)+(1*6)=84
84 % 10 = 4
So 34126-16-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H7BrO4/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3,10-11H,1H3

34126-16-4SDS

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 Methyl 4-bromo-3,5-dihydroxybenzoate

1.2 Other means of identification

Product number -
Other names 4-Brom-3,5-dihydroxybenzoesaeure-methylester

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:34126-16-4 SDS

34126-16-4Relevant academic research and scientific papers

Impact of substitution pattern and chain length on the thermotropic properties of alkoxy-substituted triphenyl-tristriazolotriazines

Detert, Heiner,Glang, Stefan,Haspel, Tobias,Lehmann, Matthias,Limbach, Daniel,Rieth, Thorsten,Schupp, Niklas,Sperner, Marcel,Tober, Natalie,Wicker, Philipp

supporting information, (2021/06/14)

Tristriazolotriazines (TTTs) with a threefold alkoxyphenyl substitution were prepared and studied by DSC, polarized optical microscopy (POM) and X-ray scattering. Six pentyloxy chains are sufficient to induce liquid-crystalline behavior in these star-shap

Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY

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Paragraph 0230-0232, (2019/03/05)

Disclosed herein is a tri-substituted phenyl Btk inhibitors with improved dual selectivity, a method and a composition for inhibiting Btk and treating disease associated with undesirable Btk activity (Btk-related diseases).

Total Synthesis of Gramistilbenoids A, B, and C

Harmalkar, Dipesh S.,Lu, Qili,Lee, Kyeong

supporting information, p. 798 - 805 (2018/05/07)

Stilbenes are biologically active metabolites of plants that have the potential to attenuate a broad range of human diseases. Gramistilbenoids are a class of natural products with a stilbene skeleton, isolated from the bamboo orchid (Arundina graminifolia), and with significant cytotoxicity against cancer cell lines (NB4, A549, SHSY5Y, PC3, and MCF7). These are the first identified naturally occurring diphenylethylenes to possess a hydroxyethyl unit. However, some of these compounds are not abundant in nature, and thus, their synthesis is advantageous. This paper reports the first synthesis of gramistilbenoids A (1), B (2), and C (3), with overall yields of 10, 2, and 8% respectively. These natural products were synthesized using key reactions, such as Horner-Wadsworth-Emmons olefination, Stille coupling, and hydroboration-oxidation.

Synthesis and NMR analysis of a conformationally controlled β-Turn Mimetic Torsion Balance

Lypson, Alyssa B.,Wilcox, Craig S.

, p. 898 - 909 (2017/11/04)

The molecular torsion balance concept was applied to a new conformationally controlled scaffold and synthesized to accurately evaluate pairwise amino acid interactions in an antiparallel β-sheet motif. The scaffold's core design combines (ortho-tolyl)amide and o,o,o′-trisubstituted biphenyl structural units to provide a geometry better-suited for intramolecular hydrogen bonding. Like the dibenzodiazocine hinge of the traditional torsion balance, the (ortho-tolyl)amide unit offers restricted rotation around an N-aryl bond. The resulting two-state folding model is a powerful template for measuring hydrogen bond stability between two competing sequences. The aim of this study was to improve the alignment between the amino acid sequences attached to the upper and lower aromatic rings in order to promote hydrogen bond formation at the correct distance and antiparallel orientation. Bromine substituents were introduced ortho to the upper side chains and compared to a control to test our hypothesis. Hydrogen bond formation has been identified between the NH amide proton of the upper side chain (proton donor) and glycine acetamide of the lower side chain (proton acceptor).

Heterocyclic compound and application thereof

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Paragraph 0092; 0093, (2017/08/29)

The invention belongs to the field of medical chemistry, and relates to a heterocyclic compound and application thereof. Concretely, the invention provides a compound as shown in a formula I, or an isomer, pharmaceutically acceptable salts, and a solvate

Ruthenium-Catalyzed Hydroarylation and One-Pot Twofold Unsymmetrical C?H Functionalization of Arenes

Ghosh, Koushik,Ramesh, E.,Rit, Raja K.,Sahoo, Akhila K.

supporting information, p. 7821 - 7825 (2016/07/07)

A methyl phenyl sulfoximine (MPS) is used as a directing group in the ruthenium-catalyzed intramolecular hydroarylation of alkene-tethered benzoic acid derivatives to afford dihydrobenzofurans and indolines in good to excellent yields. A one-pot, unsymmetrical, twofold C?H functionalization involving intramolecular C?C and intermolecular C?C/C?N bond formations is successfully demonstrated by using a single set of catalytic reaction conditions, which is unprecedented thus far. A novel isoquinolone-bearing dihydrobenzofuran is constructed through an unsymmetrical twofold C?H functionalization.

LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS

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Page/Page column 124, (2014/09/29)

This invention provides for a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R1–R4, L and X are defined herein. The compounds of formula (I) and pharmaceutically acceptable salts thereof are cationic lipids useful in the delivery of biologically active agents to cells and tissues.

New meso-substituted trans-A2B2 di(4-pyridyl) porphyrins as building blocks for metal-mediated self-assembling of 4 + 4 Re(i)-porphyrin metallacycles

Boccalon, Mariangela,Iengo, Elisabetta,Tecilla, Paolo

, p. 4056 - 4067 (2013/07/05)

The reaction between 5-(4-pyridyl)dipyrrylmethane and aromatic aldehydes affords meso-arylsubstituted trans-A2B2 di(4-pyridyl)porphyrins which are key building blocks in the metal-mediated self-assembling of supramolecular structures

SPIROCHROMANON DERIVATIVES

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Page/Page column 136, (2008/12/07)

The invention relates to a compound of a general formula (I): wherein Ar1 represents a group formed from an aromatic ring selected from a group consisting of benzene, pyrazole, isoxazole, pyridine, indole, 1H-indazole, 1H-furo[2,3-c]pyrazole, 1H-thieno[2,3-c]pyrazole, benzimidazole, 1,2-benzisoxazole, imidazo[1,2-a]pyridine, imidazo[1,5-a]pyridine and 1H-pyrazolo[3,4-b]pyridine, having Ar2, and optionally having one or two or more substituents selected from R3; R1 and R2 each independently represent a hydrogen atom, a halogen atom, a cyano group, a C2-C6 alkenyl group, a C1-C6 alkoxy group, a C2-C7 alkanoyl group, a C2-C7 alkoxycarbonyl group, an aralkyloxycarbonyl group, a carbamoyl-C1-C6 alkoxy group, a carboxy-C2-C6 alkenyl group, or a group of -Q1-N(Ra)-Q2-Rb; or a C1-C6 alkyl group optionally having a substituent; or an aryl or heterocyclic group optionally having a substituent; or a C1-C6 alkyl group or a C2-C6 alkenyl group having the aryl or heterocyclic group; T and U each independently represent a nitrogen atom or a methine group; and V represents an oxygen atom or a sulfur atom. The compound of the invention is useful as therapeutical agents for various ACC-related diseases.

A new family of biisoquinoline chelates

Durola, Fabien,Hanss, David,Roesel, Pirmin,Sauvage, Jean-Pierre,Wenger, Oliver S.

, p. 125 - 135 (2007/10/03)

Four 8,8′-diaryl-substituted 3,3′-biisoquinoline ligands have been synthesized and characterized. The key feature of this new family of chelates is their endotopic but sterically non-hindering nature. All four ligands were made from a common 8-bromoisoquinolin-3-ol precursor; between three and twelve synthetic steps were necessary to obtain the products. The reported synthetic procedures allow for gram-scale production of these biisoquinolines. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

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