PRODUCT
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol CAS 122431-37-2
CAS:122431-37-2 | C5H5F3N2O |MW：166.1 | EINECS NO：626-417-3
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Incoterm: FOB,CFR,CIF,EXW,FCA,CPT,CIP
Transporta: Ocean, Land,Air, DHL，TNT
Port: Shanghai Port, Qingdao Port
Description
The molecular structure of the class of heterocyclic nitrogen containing compounds, known as 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. The pyrazole is at the center of the molecular composition. The pyrazole ring is the core of the molecular structure. This produces a precise pattern of spatial substitution.
The nitrogen atom is bound to a methyl-ring. The carbon site adjacent to the nitrogen is bonded to a trifluoromethyl-ring that has pronounced electron withdrawing properties. The carbon atom on the other end has a hydroxyl. The spatial distribution and combination of substituents determine the spatial configuration of the electron cloud in the molecule. This is an important structural foundation for understanding the chemical behaviour of 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. Its tendency to tautomerism is its most prominent feature in terms of chemical properties. The pyrazole is directly attached to two nitrogen atoms within the hydroxyl of the molecule. The hydroxyl molecule is unstable due to this special bonding environment. The ketone will form a dynamic equilibrium system. Through the study of equilibrium systems, it has been found that under most common conditions, molecules preferentially exist in ketone structures with higher thermodynamic stability, and the corresponding chemical structure can be expressed as 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. The trifluoromethyl ring can also have a strong effect on electron density, which results in a reduction in the density of electrons in the ring. This electronic effect changes not only the acidity or potential amino groups of the molecule but also the activity level of the whole molecule in different chemical reactions.
Product Images & Packaging
Product Parameters
| 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol Chemical Properties |
| Melting point | 177-179 °C |
| Boiling point | 224.4±35.0 °C(Predicted) |
| density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 8.08±0.28(Predicted) |
| form | Crystalline Powder or Needles |
| color | Light yellow |
| InChI | InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,11H,1H3 |
| InChIKey | UGVAQFVQIHNCJV-UHFFFAOYSA-N |
| SMILES | N1(C)C(O)=CC(C(F)(F)F)=N1 |
The application of 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
The organic synthesis, chemistry, and materials sciences have all been interested in 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. This molecule’s structural design reflects the precise control of functional groups. It is composed of a core pyrazole with a dinitrogen five-membered structure. A methyl group is attached to the first nitrogen site of the pyrazole. This structural feature categorizes the compound as a “N-methyl substituted pyrazole”, and the introduction a methyl has a direct effect on the chemical properties such as coordination and alkalinity of the molecule.
The strongly polar trifluoromethyl groups at the third carbon atom of the pyrazole rings induce a significant electron withdrawal effect. This results in a decrease in the density of the electron cloud of the ring. This electron effect has a significant impact on the physical and chemical properties of molecules involved in chemical reactions.
The presence of a 5-carbon atom site hydroxyl at the opposite end of the pyrazole rings makes this site a potentially active site. This hydroxyl can act both as a hydrogen-bond donor and acceptor giving the molecule an advantage in water solubility. It is also important in the study on interactions with biological molecules.
The unique chemical structure of the molecule is derived from the synergistic effects of the substituents mentioned above on the electronic and spatial effect levels. This provides a structural foundation for the subsequent academic research.
The dynamic tautomerization is the most valuable academic characteristic in terms of research on chemical behavior. It is hard to maintain the “5-hydroxy”, structural form from a theoretical perspective.
The pyrazole ring contains two nitrogen atoms that are highly electronegative. Protons from the hydroxyl groups can move between the nitrogen atoms and oxygen atoms to form a dynamic equilibrium. Through the study of different states of matter (solid and solution), it has been found that in the vast majority of physical states, molecules mainly exist in a ketone structure 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. This structural transformation involves the C-OH bond being transformed into a C=O bond while the nitrogen atom adjacent to it is bonded with a hydrogen.
This structural transformation enhances not only the thermodynamic stability, but can also form a cyclic structure that generates intramolecular hydrogen bonding, further improving structural stability.
The trifluoromethyl site located on the third carbon atom serves as an electron withdrawing group. Its electronic effect can penetrate into the conjugated system, enhancing the electrophilic reactivity of the carbonyl site on the fourth carbon atom.
This regulation of the molecular electronic properties allows 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol to show high activity and specificity in subsequent derivatizations and interactions with biological targets. It provides a good model for academic exploration within related fields.
Due to its unique chemical properties, 1-Methyll-3 (trifluoromethyl ) -1H pyrazol-5 ol is of great research value in academic research and has a wide range of applications.
The structural characteristics and pharmacological activities of 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol,ol have received much attention in the field of medicinal chemical research. Trifluoromethyl is a functional group that is used in the design of drug molecules to improve the pharmacokinetics of lead compounds. This includes improving membrane permeability and increasing the stability of metabolically active enzymes. This compound is a key intermediary for the design and syntheses of new anti-inflammatory, analgesic, and anti-tumor compounds. Research on structural modification and activity screen is an important direction in medicinal chemistry.
The study of 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, and its derivatives in the field of agricultural chemicals is also very important.
This structure is used in the design and synthesis of new fungicides or herbicides. Trifluoromethyl increases the affinity and specificity for molecules to bind with target enzymes of pathogenic bacteria or weeds while decreasing the activity of non-target organisms. This property is in line with the requirements for modern agricultural chemicals to be environmentally compatible and selective. It provides important structural references that can help develop green agricultural chemicals.
It has broad research potential in materials chemistry as well as advanced organic synthesis. It can be used as an organic ligand in coordination chemistry to perform coordination reactions with metals ions. This allows for the construction of coordination polymer materials that have specific functions. Materials chemistry is a hotbed of research in structural characterization of related materials and their performance. In the study of functional dyes or pigments, the molecular structure of chromophores can be used to provide structural support for new functional pigments.
In the study of organic synthesis methodologies, 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol is an effective synthetic sub-molecule for building complex heterocyclic system. Its participation in cyclization, coupling, and other reactions mechanisms is important for theoretically enriching heterocyclic compound synthesis.
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol 's Procurement Guide
Procurement Guidelines
1. Sample Policy
We can provide a 2-3g free trial package (shipping fee required)
2. Batch procurement
Packaging: 25kg/bag; 220kg/barrel; Special packaging according to your needs
MOQ：1kg
3. Customized services
Concentration customization (90% -99%)
Paeonol’s outsourcing services
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Yes, we have our own factory called ” ZhiShang Industry Group “
Yes, we have GMP certificate for some products, and we can provide DMF as well.
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Escrow and T/T in advance are highly recommended. We can accept Western Union, Money Gram and Paypal as well.
For sample(less than 1kg), in about 3 working days after payment; for larger orders (more than 1kg), in about 7 working days after payment.
For samples, we will send by TNT/DHL/FEDEX/UPS express, usually it takes about 3-5 day.
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Zhishang Bio is based in Shandong, serves the whole country, faces the world, and is determined to become an excellent supplier and service provider in the chemical industry.
As a top manufacturer of cosmetic raw materials, disinfectants, flavors and fragrances in China, we are committed to producing high-quality products and have won high praise from customers all over the world.
In the next 10 years or even longer, Zhishang Bio will always adhere to the tenet of quality first and reputation first, and devote itself to providing customers with thoughtful and perfect services.
As a professional 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-ol manufacturer, Zhi shang Bio has served more than 6,000 customers around the world. Because of our high-quality products and professional services, we have won high praise from most of our customers.
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Zhishang Bio is a professional enterprise engaged in the research and development, production, and sales of chemical raw materials. It has a strong supply chain system and strict quality control standards to ensure the provision of high-quality products with high purity and stability to customers.
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DO YOU ACCEPT SAMPLE ORDER?
We will make samples before mass production. After the samples are approved by the department and users, we will start mass production. During the production process, we will carry out 100% inspection, and then carry out random inspection before packaging.
WHAT’S YOUR MOQ?
Our MOQ is 1kg. But usually we can also accept a smaller quantity, such as 100g, if you need it, provided that the sample fee is 100% paid.
IS THERE A DISCOUNT?
Different quantity has different discount.
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You can consult us to get free samples of some products, you only need to pay the freight or arrange express delivery to us and get the samples. You can send us the product specifications and requirements you need, and we will manufacture products according to your requirements.
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