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3-Bromo-2-methylbenzoic acid is a disubstituted benzoic acid derivative, characterized by the presence of a bromine atom at the 3rd position and a methyl group at the 2nd position on the benzene ring. It is a white to orange or brown powder in appearance and is known for its versatile applications in the synthesis of various biologically active compounds.

76006-33-2

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76006-33-2 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-2-methylbenzoic acid is used as a key intermediate in the synthesis of α-2 adrenoceptor agonists, which are important for the treatment of various medical conditions such as hypertension, anxiety, and depression. These agonists work by stimulating the α-2 adrenergic receptors, leading to a decrease in heart rate and blood pressure.
3-Bromo-2-methylbenzoic acid is also used as a precursor in the preparation of Smoothened receptor antagonists. These antagonists play a crucial role in the treatment of various cancers by targeting the Hedgehog signaling pathway, which is often dysregulated in cancer cells.
Furthermore, 3-Bromo-2-methylbenzoic acid is utilized in the development of HIV-1 entry inhibitors. These inhibitors are designed to prevent the human immunodeficiency virus (HIV) from entering and infecting host cells, thus helping to control the progression of the disease.
Used in Chemical Synthesis:
3-Bromo-2-methylbenzoic acid may be used to synthesize 4-(bromoacetyl)isoindolin-1-one and isocoumarins. These compounds have potential applications in various fields, including pharmaceuticals, materials science, and chemical research. The synthesis of these compounds from 3-Bromo-2-methylbenzoic acid demonstrates its versatility as a starting material for the preparation of diverse chemical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 76006-33-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,0,0 and 6 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 76006-33:
(7*7)+(6*6)+(5*0)+(4*0)+(3*6)+(2*3)+(1*3)=112
112 % 10 = 2
So 76006-33-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)

76006-33-2 Well-known Company Product Price

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  • Alfa Aesar

  • (H55436)  3-Bromo-2-methylbenzoic acid, 97%   

  • 76006-33-2

  • 1g

  • 154.0CNY

  • Detail
  • Alfa Aesar

  • (H55436)  3-Bromo-2-methylbenzoic acid, 97%   

  • 76006-33-2

  • 5g

  • 530.0CNY

  • Detail

76006-33-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-2-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names 3-bromo-2-methylbenzenecarboxylic 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:76006-33-2 SDS

76006-33-2Relevant academic research and scientific papers

MALT1 MODULATORS AND USES THEREOF

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Paragraph 00120; 00156, (2021/07/10)

Provided herein are compounds, compositions, and methods useful for modulating MALT1 and for treating related diseases, disorders, and conditions.

HPK1 ANTAGONISTS AND USES THEREOF

-

Paragraph 1473, (2021/03/19)

The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of HPK1, and the treatment of HPK1-mediated disorders.

BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY

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Paragraph 0673; 0674; 0675, (2020/05/21)

The present invention relates to compounds useful for degrading BTK via a ubiquitin proteolytic pathway. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

Synthesis, computational, and spectroscopic analysis of tunable highly fluorescent BN-1,2-azaborine derivatives containing the N-BOH moiety

Saint-Louis, Carl Jacky,Shavnore, Renée N.,McClinton, Caleb D. C.,Wilson, Julie A.,Magill, Lacey L.,Brown, Breanna M.,Lamb, Robert W.,Webster, Charles Edwin,Schrock, Alan K.,Huggins, Michael T.

, p. 10172 - 10183 (2017/12/26)

Nine new polycyclic aromatic BN-1,2-azaborine analogues containing the N-BOH moiety were synthesized using a convenient two-step, one-pot procedure. Characterization of the prepared compounds show the luminescence wavelength and the quantum yields of the azaborines were tunable by controlling the power and location of the donor and acceptor substituents on the chromophore. UV-visible spectroscopy and density functional theory (DFT) computations revealed that the addition of electron-donating moieties to the isoindolinone hemisphere raised the energy of the HOMO, resulting in the reduction of the HOMO-LUMO gap. The addition of an electron-accepting moiety to the isoindolinone hemisphere and an electron-donating group to the boronic acid hemisphere decreased the HOMO-LUMO gap considerably, leading to emission properties from partial intramolecular charge transfer (ICT) states. The combined effect of an acceptor on the isoindolinone side and a donor on the boronic acid side (strong acceptor-π-donor) gave the most red-shifted absorption. The polycyclic aromatic BN-1,2-azaborines emitted strong fluorescence in solution and in the solid-state with the largest red-shifted emission at 640 nm and a Stokes shift of Δλ = 218 nm, or Δν = 8070 cm-1.

MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM

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Paragraph 0273; 0274, (2015/11/10)

This invention relates to the field of biotechnology or genetic engineering. Specifically, this invention relates to the field of gene expression. More specifically, this invention relates to novel substitution mutant receptors and their use in a nuclear

Synthesis and characterization of π-extended porphyrins as potential precursors for the formation of columnar mesophases: Design principles for columnar mesophases need revision?

Herzog, Beat,Neier, Reinhard

experimental part, p. 29 - 44 (2011/06/18)

A series of meso-a bridged extended porphyrins substituted with long aliphatic chains were synthesized and fully characterized. Two different synthetic strategies were tested to obtain the target structures. The synthetic steps were optimized in order to obtain scalable routes for the production of sufficient quantities of η-extended porphyrins for material science studies. The porphyrins were obtained either as free bases or complexed with Ni II or CuII. UV-Vis spectroscopy and polarized light microscopy was used for the analysis of the material properties of the η-extended porphyrins. The results obtained with our compounds are not compatible with the results reported in the literature. ARKAT-USA, Inc.

INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE

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Example 1, (2011/07/30)

The present invention relates to heterocyclic compounds in all their stereoisomeric and tautomeric forms; and their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutically acceptable polymorphs. The invention also relates to processes for the manufacture of the heterocyclic compounds and to pharmaceutical compositions containing them. The said compounds and their pharmaceutical compositions are useful in the prevention and treatment of diseases or disorders mediated by diacylglycerol acyltransferase (DGAT), particularly DGAT1. The present invention further provides a method of treatment of such diseases or disorders by administering a therapeutically effective amount of said compounds or their pharmaceutical compositions, to a mammal in need thereof.

INHIBITORS OF STEAROYL-COA DESATURASE

-

, (2009/06/27)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS

-

, (2009/10/09)

The present invention is directed to novel compounds of Formula's (I) - (VI), and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use in therapy, for example as inhibitors of phosphodiesterase type IV (PDE4) and as antagonists of muscarinic acetylcholine receptors (mAChRs), in the treatment of and/or prophylaxis of respiratory diseases, including inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rhinitis (e.g. allergic rhinitis), atopic dermatitis or psoriasis.

Synthetic strategies to derivatizable triphenylamines displaying high two-photon absorption

Lartia, Remy,Allain, Clemence,Bordeau, Guillaume,Schmidt, Falk,Fiorini-Debuisschert, Celine,Charra, Fabrice,Teulade-Fichou, Marie-Paule

, p. 1732 - 1744 (2008/09/18)

(Chemical Equation Presented) A versatile synthetic strategy to access a set of highly fluorescent π-conjugated triphenylamines bearing a functional linker at various positions on one phenyl ring is described. These compounds were designed for large two-photon absorption (2PA) and in particular for labeling of biomolecules. The monoderivatized trisformylated or trisiodinated intermediates described herein allow introduction of a large variety of electron-withdrawing groups required for large 2PA as well as a panel of chemical functions suitable for coupling to biomolecules. The monoderivatized three-branched compounds and in particular the benzothiazole (TP-3Bz) series show remarkable linear (high extinction coefficients and high quantum yield) and nonlinear (high 2-photon cross sections) optical properties. Interestingly the presence of functional side chains does not disturb the two-photon absorption. Finally, monoderivatized two-branched derivatives also appear to be valuable candidates. Altogether the good optical properties of the new derivatizable π-conjugated TPA combined with their small size and their compatibility with bioconjugation protocols suggest that they represent a new chemical class of labels potentially applicable for the tracking of biomolecules using two-photon scanning microscopy.

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