Cas no 1046861-53-3 (1-(2-Chloroethyl)-4-methyl-1H-pyrazole)

1-(2-Chloroethyl)-4-methyl-1H-pyrazole is a versatile heterocyclic compound featuring a pyrazole core substituted with a chloroethyl group at the 1-position and a methyl group at the 4-position. This structure makes it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals, agrochemicals, and specialty chemicals. The chloroethyl moiety offers reactivity for further functionalization, enabling nucleophilic substitution or cross-coupling reactions. Its pyrazole backbone contributes to stability and potential biological activity. The compound is typically handled under controlled conditions due to its reactive chloroethyl group. Its well-defined structure and synthetic utility make it a useful building block for researchers in medicinal and industrial chemistry applications.
1-(2-Chloroethyl)-4-methyl-1H-pyrazole structure
1046861-53-3 structure
Product Name:1-(2-Chloroethyl)-4-methyl-1H-pyrazole
CAS No:1046861-53-3
MF:C6H9ClN2
MW:144.602060079575
CID:4678743
Update Time:2025-05-21

1-(2-Chloroethyl)-4-methyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(2-chloroethyl)-4-methyl-1H-pyrazole
    • 1H-pyrazole, 1-(2-chloroethyl)-4-methyl-, hydrochloride
    • 1-(2-Chloroethyl)-4-methyl-1H-pyrazole
    • Inchi: 1S/C6H9ClN2/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
    • InChI Key: QOTFZRBNTXCEOZ-UHFFFAOYSA-N
    • SMILES: ClCCN1C=C(C)C=N1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 87.1
  • Topological Polar Surface Area: 17.8

1-(2-Chloroethyl)-4-methyl-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B417240-10mg
1-(2-Chloroethyl)-4-methyl-1H-pyrazole
1046861-53-3
10mg
$ 50.00 2022-06-07
TRC
B417240-50mg
1-(2-Chloroethyl)-4-methyl-1H-pyrazole
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$ 115.00 2022-06-07
TRC
B417240-100mg
1-(2-Chloroethyl)-4-methyl-1H-pyrazole
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$ 160.00 2022-06-07
abcr
AB554195-100 mg
1-(2-Chloroethyl)-4-methyl-1H-pyrazole, 95%; .
1046861-53-3 95%
100MG
€257.30 2022-03-01
abcr
AB554195-250 mg
1-(2-Chloroethyl)-4-methyl-1H-pyrazole, 95%; .
1046861-53-3 95%
250MG
€306.40 2022-03-01
abcr
AB554195-500 mg
1-(2-Chloroethyl)-4-methyl-1H-pyrazole, 95%; .
1046861-53-3 95%
500MG
€454.70 2022-03-01
abcr
AB554195-1 g
1-(2-Chloroethyl)-4-methyl-1H-pyrazole, 95%; .
1046861-53-3 95%
1g
€540.70 2022-03-01

Additional information on 1-(2-Chloroethyl)-4-methyl-1H-pyrazole

1-(2-Chloroethyl)-4-methyl-1H-pyrazole: A Comprehensive Overview

The compound with CAS No. 1046861-53-3, commonly referred to as 1-(2-Chloroethyl)-4-methyl-1H-pyrazole, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and materials science. This compound is a derivative of the pyrazole family, which is known for its versatile applications in drug discovery, agrochemicals, and advanced materials. The structure of 1-(2-Chloroethyl)-4-methyl-1H-pyrazole consists of a pyrazole ring substituted with a 2-chloroethyl group at position 1 and a methyl group at position 4, making it a unique member of the pyrazole derivatives.

Recent studies have highlighted the potential of pyrazole derivatives in various biological and chemical systems. For instance, researchers have explored the role of pyrazole-containing compounds in modulating enzyme activity, particularly in the context of kinase inhibitors. The presence of the chloroethyl group in 1-(2-Chloroethyl)-4-methyl-1H-pyrazole introduces additional reactivity, making it a promising candidate for further exploration in medicinal chemistry.

In terms of synthesis, the preparation of 1-(2-Chloroethyl)-4-methyl-1H-pyrazole typically involves multi-step organic reactions. One common approach is the alkylation of pyrazole derivatives using appropriate alkylating agents. The methyl substitution at position 4 can be achieved through Friedel-Crafts alkylation or other similar methods, while the chloroethyl group is introduced via nucleophilic substitution or coupling reactions. These synthetic strategies not only highlight the versatility of pyrazole chemistry but also underscore the importance of precise control over reaction conditions to achieve high yields and purity.

The application of pyrazole derivatives extends beyond traditional pharmaceuticals. Recent advancements have demonstrated their utility in materials science, particularly in the development of coordination polymers and metal-organic frameworks (MOFs). The nitrogen atoms in the pyrazole ring can act as coordinating sites, enabling the formation of stable metal-ligand complexes. This property makes 1-(2-Chloroethyl)-4-methyl-1H-pyrazole a valuable building block for constructing functional materials with applications in gas storage, catalysis, and sensing technologies.

Beyond its chemical applications, pyrazole-containing compounds have also been studied for their environmental impact. Researchers are investigating their biodegradation pathways and potential toxicity to aquatic organisms. Understanding these aspects is crucial for ensuring sustainable practices in the synthesis and application of such compounds. Preliminary studies suggest that certain pyrazole derivatives exhibit moderate biodegradability under specific environmental conditions, but further research is needed to fully characterize their ecological footprint.

In conclusion, CAS No. 1046861-53-3, or 1-(2-Chloroethyl)-4-methyl-1H-pyrazole, represents a compelling example of how structural modifications can enhance the functionality and applicability of organic compounds. With ongoing research into its synthesis, properties, and applications, this compound continues to be a focal point for innovation across multiple disciplines.

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