27006-82-2

Basic information

• Product Name: 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
• Synonyms: RARECHEM AL BE 0944;5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID;AKOS PAO-0130;4-Carboxy-5-chloro-1,3-dimethyl-1H-pyrazole;5-Chloro-1,3-dimethyl-4-pyrazolecarboxylic acid
• CAS NO: 27006-82-2
• Molecular Formula: C₆H₇ClN₂O₂
• Molecular Weight: 174.58
• Mol File: 27006-82-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 195 °C
• Boiling Point: 316.1°C at 760 mmHg
• Flash Point: 145°C
• Appearance: /
• Density: 1.47g/cm³
• Vapor Pressure: 0.000177mmHg at 25°C
• Refractive Index: 1.603
• PKA: 2.41±0.34(Predicted)
• CAS DataBase Reference: 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(27006-82-2)
• EPA Substance Registry System: 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID(27006-82-2)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• HazardClass: IRRITANT
• Hazardous Substances Data: 27006-82-2(Hazardous Substances Data)

Usage

Description

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid is an organic compound characterized by its unique chemical structure, which features a pyrazole ring with a carboxylic acid group and two methyl groups. 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID is known for its potential applications in various industries, particularly in the development of new chemical products.

Uses

Used in Pharmaceutical Industry:
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid is used as a key intermediate in the synthesis of pyflubumide, a novel acaricide. 5-CHLORO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID plays a crucial role in the development of effective pest control solutions, particularly for managing mites and ticks in agricultural settings.
Used in Chemical Synthesis:
In the field of chemical synthesis, 5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid serves as a versatile building block for the creation of various chemical products. Its unique structure allows for further functionalization and modification, enabling the development of new compounds with potential applications in different industries.
Used in Research and Development:
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxylic acid is also utilized in research and development efforts, where it can be employed to study the properties and reactivity of pyrazole-based compounds. This knowledge can be applied to the design and synthesis of new molecules with specific functions and applications.

InChI:InChI=1/C6H7ClN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)

Upstream product

• 27006-76-4 5-chloro-4-formyl-1,3-dimethylpyrazole 
• 85290-70-6 5-chloro-N-<1,3-dimethyl-4-(phenylcarbamoyl)pyrazol-5-yl>-1,3-dimethyl-N-phenylpyrazole-4-carboxamide 

Downstream Products

• 85290-72-8 ethyl 5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxylate 
• 111493-84-6 diethyl 5-chloro-1-methylpyrazole-3,4-dicarboxylate 
• 78703-53-4 1,3-dimethyl-1H-pyrazole-4-carboxylic acid 
• 1392131-62-2 1-(4-(trifluoromethylthio)phenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-61-1 1-(5-chloro-2-fluorophenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-60-0 1-(3-fluorophenethyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-59-7 1-(2-fluorophenethyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-58-6 1-(2-fluoro-3-(trifluoromethyl)phenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-57-5 1-(2-fluoro-5-(trifluoromethyl)phenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-56-4 1-(2-fluorophenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-55-3 1-(2-fluorobenzyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-54-2 1-(4-bromo-2-(trifluoromethyl)phenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 
• 1392131-53-1 1-(2-bromo-4,6-difluorophenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea 

Relevant articles and documents

Synthesis of novel EP4 antagonists and their use in cancer and inflammation

The present invention relates to a compound capable of effectively antagonizing EP4, which is a compound represented by formula I, or a tautomer, a stereoisomer, a hydrate, a solvate, a pharmaceutically-acceptable salt or a prodrug of the compound represented by formula I. R1 is selected from -CH3, -CHF2, and -CF3; R2 is selected from C2-C6 alkyl, C3-C6 cycloalkyl, halogenated C2-C6 alkyl, and halogenated C3-C6 cycloalkyl; R3 is selected from hydrogen, halogen, C1-C2 alkyl, and fluorinated C1-C2 alkyl; R4 is selected from hydrogen, halogen, C1-C6 alkyl, C1-C6 alkoxy, halogenated C1-C6 alkyl, and halogenated C1-C6 alkoxy.

Design, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety

A series of novel pyrazole carboxamide and niacinamide derivatives containing a benzimidazole moiety were designed and synthesized as antifungal candidate agents. All target compounds were characterized by FTIR, 1H NMR, 13C NMR, HRMS and elemental analysis techniques. The structure of compound T1 was further confirmed by single crystal X-ray diffraction analysis. The antifungal activities of the target compounds were evaluated in vitro against four phytopathogenic fungi (namely Botrytis cinerea, Rhizoctonia solani, Fusarium graminearum and Alternaria solani) by the mycelium growth inhibition method. The bioassay results indicated that some of the compounds exhibited good antifungal activity against B. cinerea at 100 μg ML?1 compared to other three fungi. In order to better explore the structure-activity relationship (SAR), the EC50 values of target compounds against B. cinerea were measured and assessed. Subsequently, a 3D quantitative structure-activity relationship (3D-QSAR) study was carried out using the comparative molecular field analysis (CoMFA) technique based on the inhibitory activities of tested compounds against B. cinerea. Molecular modelling results revealed fine predictive ability with cross-validated q2 and non-cross-validated r2 values of 0.578 and 0.850, respectively.

Synthesis and antiviral activity of novel pyrazole amides containing α-aminophosphonate moiety

A series of novel pyrazole amides J1-J15 containing an α-aminophosphonate moiety were synthesized and subsequently characterized by spectral (IR, 1H-, 13C-, 31P-, and 19F-NMR) data and elemental analysis. The racemic sample of J1 was further separated into its enantiomers under normal-phase condition on two immobilized polysaccharide-based chiral stationary phases (Chiralpak IA and Chiralpak IC). The synthesized compounds revealed certain degree of antiviral activity in the bioassay. The title compounds (J 3, J10, and J12) showed some curative activities (39.9%, 41.8%, 50.1%, respectively) against tobacco mosaic virus at 0.5 mg/mL.