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3-Bromo-5-formyl-benzoic acid is a chemical compound characterized by a benzoic acid core with a bromine atom at the 3 position and a formyl group at the 5 position. It is recognized for its role as a building block in organic chemistry, enabling the synthesis of a variety of functionalized aromatic compounds. This versatile chemical is valued for its potential in creating novel biologically active molecules, particularly in the pharmaceutical and agrochemical sectors.

398119-27-2

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398119-27-2 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-5-formyl-benzoic acid is utilized as a precursor in the synthesis of biologically active molecules, contributing to the development of new pharmaceutical agents. Its unique structure allows for the creation of compounds with potential therapeutic properties, making it an essential component in drug discovery and medicinal chemistry.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, 3-Bromo-5-formyl-benzoic acid serves as a precursor for synthesizing molecules with pesticidal or herbicidal activities. Its incorporation into these compounds can lead to the development of more effective and targeted agrochemicals.
Used in Organic Synthesis as a Reagent:
3-Bromo-5-formyl-benzoic acid is also employed as a reagent in cross-coupling reactions and other organic transformations. Its presence in these processes facilitates the formation of complex organic molecules, which are crucial for advancing the field of organic chemistry and expanding the scope of synthetic capabilities.
Overall, 3-Bromo-5-formyl-benzoic acid is a multifaceted chemical intermediate with broad applications across various scientific disciplines, particularly in the synthesis of compounds with significant biological and chemical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 398119-27-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,9,8,1,1 and 9 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 398119-27:
(8*3)+(7*9)+(6*8)+(5*1)+(4*1)+(3*9)+(2*2)+(1*7)=182
182 % 10 = 2
So 398119-27-2 is a valid CAS Registry Number.

398119-27-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-bromo-5-formylbenzoic acid

1.2 Other means of identification

Product number -
Other names 3-BROMO-5-FORMYL-BENZOIC ACID

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:398119-27-2 SDS

398119-27-2Relevant academic research and scientific papers

LOX ENZYME INHIBITING METHODS AND COMPOSITIONS

-

Paragraph 442-443, (2021/10/30)

This invention relates to compounds, pharmaceutical compositions and their use for treating fibrotic disorders, proliferative disorders, cardiovascular diseases, acute and chronic inflammatory disorders, primary and metastatic cancer, pulmonary conditions, ocular diseases, or neurological and neuropsychiatric conditions. One particular aspect of the inventions relates to inhibitors of the family of lysyl oxidase enzymes and their use as therapeutics for fibrotic disorders.

Novel S1P1 receptor agonists - Part 4: Alkylaminomethyl substituted aryl head groups

Lescop, Cyrille,Müller, Claus,Mathys, Boris,Birker, Magdalena,De Kanter, Ruben,Kohl, Christopher,Hess, Patrick,Nayler, Oliver,Rey, Markus,Sieber, Patrick,Steiner, Beat,Weller, Thomas,Bolli, Martin H.

supporting information, p. 222 - 238 (2016/04/20)

In a previous communication we reported on the discovery of alkylamino pyridine derivatives (e.g. 1) as a new class of potent, selective and efficacious S1P1 receptor (S1PR1) agonists. However, more detailed profiling revealed that this compound class is phototoxic in vitro. Here we describe a new class of potent S1PR1 agonists wherein the exocyclic nitrogen was moved away from the pyridine ring (e.g. 11c). Further structural modifications led to the identification of novel alkylaminomethyl substituted phenyl and thienyl derivatives as potent S1PR1 agonists. These new alkylaminomethyl aryl compounds showed no phototoxic potential. Based on their in vivo efficacy and ability to penetrate the brain, the 5-alkyl-aminomethyl thiophenes appeared to be the most interesting class. Potent and selective S1PR1 agonist 20e, for instance, maximally reduced the blood lymphocyte count (LC) for 24 h after oral administration of 10 mg/kg to rat and its brain concentrations reached >500 ng/g over 24 h.

A reactive nitrone-based organogel that self-assembles from its constituents in chloroform

Richards, Josh E.,Philp, Douglas

supporting information, p. 4995 - 4998 (2016/04/19)

The reversible reaction of an aldehyde with a hydroxylamine affords a nitrone which is capable of forming a stiff gel with chloroform at concentrations as low as 0.20 wt% (6 mM). The gelator forms dynamically from its constituents and the gel assembly can be degraded in a controlled manner through a recognition-mediated reaction that targets the nitrone component of the gel network.

AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF

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Page/Page column 136, (2009/10/22)

Compounds are provided according to formula (1 ) : where A, B, W, X', L, R1, R3, R4b, and m' are as defined herein. Provided compounds and pharmaceutical compositions thereof are useful for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, cognitive disorders, anxiety, depression, and others.

NOVEL AMINOMETHYL BENZENE DERIVATIVES

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Page/Page column 43, (2009/10/22)

The invention relates to novel aminomethyl benzene derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. (I) wherein A represents one of the groups (I), (I), (I) and

Synthesis and self-association of an imine-containing m-phenylene ethynylene macrocycle

Zhao, Dahui,Moore, Jeffrey S.

, p. 3548 - 3554 (2007/10/03)

The purpose of this study was to test the suitability of the imine bond as a structural unit within the backbone of phenylene ethynylene macrocycles and oligomers by determining the ability of m-phenylene ethynylene macrocycle 1 to form π-stacked aggregates in both solution and the solid state. Macrocycle 1, with two imine bonds, was synthesized in high yield from diamine 4 and dialdehyde 5. The imine-forming macrocyclization step was carried out under a variety of conditions, with the best yield obtained simply by refluxing the reactants in methanol. The self-association behavior of 1 in various solvents was probed by 1H NMR. The association constants (KE) in acetoned6 and tetrahydrofuran-d8 were determined by fitting the concentration-dependent chemical shifts with indefinite self-association models. The results showed that solvophobically driven intermolecular π-π stacking could be preserved in the imine-containing m-phenylene ethynylene macrocycles. Interestingly, in acetone macrocycle 1 exhibited a stronger tendency to form a dimer rather than higher aggregates. We postulate that this behavior may be due to electrostatic attraction between dipolar imine groups. The solid-state packing of 1 was studied by wide- and small-angle X-ray powder diffraction (WAXD and SAXD). Bragg reflections of 1 were consistent with a hexagonal packing motif similar to our previous studies on m-phenylene ethynylene macrocycles that formed columnar liquid crystal phases.

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