Cas no 1261634-60-9 (5-Chloro-4-(difluoromethyl)pyrimidine)

5-Chloro-4-(difluoromethyl)pyrimidine is a halogenated pyrimidine derivative characterized by its reactive chloro and difluoromethyl substituents. The compound serves as a versatile intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries, where its structural motifs are valuable for constructing biologically active molecules. The presence of the difluoromethyl group enhances metabolic stability and lipophilicity, while the chloro substituent facilitates further functionalization via cross-coupling or nucleophilic substitution reactions. Its high purity and well-defined reactivity make it suitable for precision applications in medicinal chemistry and material science. The compound is typically handled under controlled conditions due to its sensitivity to moisture and reactive nature.
5-Chloro-4-(difluoromethyl)pyrimidine structure
1261634-60-9 structure
Product Name:5-Chloro-4-(difluoromethyl)pyrimidine
CAS No:1261634-60-9
MF:C5H3ClF2N2
MW:164.540526628494
CID:4826826
Update Time:2025-11-05

5-Chloro-4-(difluoromethyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-4-(difluoromethyl)pyrimidine
    • 5-Chloro-4-(difluoromethyl)pyrimidine
    • Inchi: 1S/C5H3ClF2N2/c6-3-1-9-2-10-4(3)5(7)8/h1-2,5H
    • InChI Key: RMARUISFWZUKPG-UHFFFAOYSA-N
    • SMILES: ClC1=CN=CN=C1C(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 112
  • XLogP3: 1.5
  • Topological Polar Surface Area: 25.8

5-Chloro-4-(difluoromethyl)pyrimidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A039000647-250mg
5-Chloro-4-(difluoromethyl)pyrimidine
1261634-60-9 98%
250mg
$731.48 2023-09-03
Alichem
A039000647-500mg
5-Chloro-4-(difluoromethyl)pyrimidine
1261634-60-9 98%
500mg
$985.37 2023-09-03
Alichem
A039000647-1g
5-Chloro-4-(difluoromethyl)pyrimidine
1261634-60-9 98%
1g
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Additional information on 5-Chloro-4-(difluoromethyl)pyrimidine

5-Chloro-4-(difluoromethyl)pyrimidine: A Comprehensive Overview

The compound 5-Chloro-4-(difluoromethyl)pyrimidine, with the CAS number 1261634-60-9, is a heterocyclic aromatic compound that has garnered significant attention in the fields of organic chemistry, materials science, and pharmacology. This compound belongs to the pyrimidine family, which is a six-membered ring consisting of four carbon atoms and two nitrogen atoms. The substitution pattern of this molecule includes a chlorine atom at the 5-position and a difluoromethyl group at the 4-position, making it a unique derivative with distinct chemical and physical properties.

The synthesis of 5-Chloro-4-(difluoromethyl)pyrimidine typically involves multi-step reactions, often utilizing nucleophilic aromatic substitution or coupling reactions. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and enhancing purity. The compound's structure is highly versatile, allowing for further functionalization to explore its potential applications in various industries.

One of the most promising applications of 5-Chloro-4-(difluoromethyl)pyrimidine lies in its use as an intermediate in drug discovery. Pyrimidine derivatives are known for their ability to interact with biological targets such as enzymes and receptors, making them valuable in the development of therapeutic agents. For instance, studies have shown that this compound exhibits potential anti-inflammatory and anti-cancer properties, which are currently under investigation.

In addition to its pharmaceutical applications, 5-Chloro-4-(difluoromethyl)pyrimidine has also found utility in agrochemicals. Its ability to inhibit specific enzymes involved in plant defense mechanisms makes it a candidate for developing new pesticides and herbicides. Recent research has focused on optimizing its bioavailability and minimizing environmental impact, ensuring sustainable agricultural practices.

The electronic properties of 5-Chloro-4-(difluoromethyl)pyrimidine make it an attractive candidate for use in organic electronics. Its conjugated system facilitates electron transport, which is crucial for applications such as organic light-emitting diodes (OLEDs) and photovoltaic cells. Researchers are exploring ways to incorporate this compound into advanced materials to improve device performance and efficiency.

The physical properties of 5-Chloro-4-(difluoromethyl)pyrimidine, including its melting point, solubility, and stability, have been extensively characterized using modern analytical techniques such as X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy. These studies provide insights into its molecular interactions and behavior under various conditions, which are essential for its practical applications.

In conclusion, 5-Chloro-4-(difluoromethyl)pyrimidine represents a versatile compound with diverse applications across multiple disciplines. Its unique structure and functional groups make it a valuable tool for researchers seeking innovative solutions in drug development, agriculture, and materials science. As ongoing studies continue to uncover new potentials for this compound, its role in advancing technology and medicine is expected to grow significantly.

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