81282-82-8

Basic information

• Product Name: 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID
• Synonyms: TIMTEC-BB SBB004438;OTAVA-BB BB7110950792;4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)BENZOIC ACID;4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID;AKOS BBS-00000230;CHEMBRDG-BB 4400389;IFLAB-BB F1930-0020;4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid(SALTDATA: FREE)
• CAS NO: 81282-82-8
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24
• Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het
• Mol File: 81282-82-8.mol

Chemical Properties

• Melting Point: 163 °C
• Boiling Point: 381.8 °C at 760 mmHg
• Flash Point: 184.7 °C
• Appearance: /
• Density: 1.22 g/cm³
• Vapor Pressure: 1.64E-06mmHg at 25°C
• Refractive Index: 1.606
• Storage Temp.: 2-8°C
• PKA: 3.83±0.10(Predicted)
• CAS DataBase Reference: 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID(81282-82-8)
• EPA Substance Registry System: 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID(81282-82-8)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 81282-82-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID is used as a key intermediate in the synthesis of various pharmaceuticals for its anti-inflammatory and anti-tumor activities. It contributes to the development of new drugs that can potentially treat a range of inflammatory and neoplastic conditions.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID is utilized as a precursor in the production of agrochemicals, leveraging its chemical properties to enhance crop protection and management strategies.
Used in Research and Development:
4-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID is employed as a research compound in medicine and biology. Its powerful chemical properties are harnessed to explore new avenues in drug discovery and to understand complex biological processes, thereby advancing scientific knowledge and innovation in these fields.

InChI:InChI=1/C12H12N2O2/c1-8-7-9(2)14(13-8)11-5-3-10(4-6-11)12(15)16/h3-7H,1-2H3,(H,15,16)

Upstream product

• 619-67-0 4-Hydrazinobenzoic acid 
• 123-54-6 acetylacetone 
• 24589-77-3 4-hydrazinobenzoic acid hydrochloride 

Downstream Products

• 86618-66-8 2,4-di-<4-(3,5-dimethyl-1(H)-pyrazole)benzoyloxy>acetophenone 
• 86618-67-9 2,4,6-tri-<4-(3,5-dimethyl-1(H)-pyrazole)benzoyloxy>acetophenone 
• 81282-68-0 2-<4-(3,5-dimethyl-1(H)-pyrazole)benzoyloxy>acetophenone 
• 81282-76-0 1-[4-(3,5-Dimethyl-pyrazol-1-yl)-phenyl]-3-(2-hydroxy-phenyl)-propane-1,3-dione 
• 86618-68-0 4-(3,5-Dimethyl-pyrazol-1-yl)-benzoic acid 4-{3-[4-(3,5-dimethyl-pyrazol-1-yl)-phenyl]-3-oxo-propionyl}-3-hydroxy-phenyl ester 
• 86618-69-1 C₄₄H₃₈N₆O₇ 
• 81282-72-6 4-(3,5-Dimethyl-pyrazol-1-yl)-benzoic acid 2-(2-bromo-acetyl)-phenyl ester 
• 86618-73-7 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl chloride 
• 1236055-25-6 6-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 
• 1236055-24-5 6-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 
• 1236055-26-7 3-(2-chlorophenyl)-6-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 
• 81282-80-6 2-[4-(3,5-Dimethyl-pyrazol-1-yl)-benzoyl]-benzofuran-3-one 

Relevant articles and documents

Design, synthesis and anticandidal evaluation of indazole and pyrazole derivatives

Candidiasis, caused by yeasts of the genus Candida, is the second cause of superficial and mucosal infections and the fourth cause of bloodstream infections. Although some antifungal drugs to treat candidiasis are available, resistant strains to current therapies are emerging. Therefore, the search for new candicidal compounds is certainly a priority. In this regard, a series of indazole and pyrazole derivatives were designed in this work, employing bioisosteric replacement, homologa-tion, and molecular simplification as new anticandidal agents. Compounds were synthesized and evaluated against C. albicans, C. glabrata, and C. tropicalis strains. The series of 3-phenyl-1H-indazole moiety (10a–i) demonstrated to have the best broad anticandidal activity. Particularly, compound 10g, with N,N-diethylcarboxamide substituent, was the most active against C. albicans and both miconazole susceptible and resistant C. glabrata species. Therefore, the 3-phenyl-1H-indazole scaf-fold represents an opportunity for the development of new anticandidal agents with a new chemo-type.

Modeling molecular interactions of propounded pyrazole based drug candidates against bacterial DNA gyrase: Validation by syntheses and biological studies

A class of nitrogen-based heterocycles, pyrazoles and their derivatives, are cardinal agents in the field of pharmacology. Here, we have conducted in silico studies on newly designed pyrazole based drug molecules, thereby revealing their activities and in

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A General Method for Aminoquinoline-Directed, Copper-Catalyzed sp2 C-H Bond Amination

An operationally simple and general method for copper-catalyzed, aminoquinoline-assisted amination of β-C(sp2)-H bonds of benzoic acid derivatives is reported. The reaction employs Cu(OAc)2 or (CuOH)2CO3 catalysts, an amine coupling partner, and oxygen from air as a terminal oxidant. Exceptionally high generality with respect to amine coupling partners is observed. Specifically, primary and secondary aliphatic and aromatic amines, heterocycles, such as indoles, pyrazole, and carbazole, sulfonamides, as well as electron-deficient aromatic and heteroaromatic amines are competent coupling components.

Sulfamic acid (H2NSO3H): A low-cost, mild, and efficient catalyst for the synthesis of substituted N-Phenylpyrazoles under solvent-free conditions

N-Phenylpyrazoles are synthesized by condensing phenylhydrazine and 1,3-diketones in the presence of a catalytic amount of sulfamic acid, a mild and an efficient solid acid catalyst, under solvent-free conditions. This condensation proceeds smoothly in shorter reaction time. Copyright Taylor & Francis Group, LLC.

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INHIBITORS OF HISTONE DEACETYLASE

The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

Inhibitors of histone deacetylase

The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.