Cas no 137994-42-4 (5-chloro-4-ethylpyrimidine)

5-Chloro-4-ethylpyrimidine is a halogenated pyrimidine derivative with a molecular formula of C6H7ClN2. This compound features a chloro substituent at the 5-position and an ethyl group at the 4-position, enhancing its reactivity and utility as a versatile intermediate in organic synthesis. Its structure makes it valuable for constructing more complex heterocyclic systems, particularly in pharmaceutical and agrochemical applications. The ethyl group contributes to increased lipophilicity, while the chloro substituent facilitates further functionalization via nucleophilic substitution or cross-coupling reactions. This compound is typically handled under inert conditions due to its sensitivity to moisture and air. It is commonly used in research settings for the development of bioactive molecules and fine chemicals.
5-chloro-4-ethylpyrimidine structure
5-chloro-4-ethylpyrimidine structure
Product Name:5-chloro-4-ethylpyrimidine
CAS No:137994-42-4
MF:C6H7ClN2
MW:142.586179971695
CID:1057613
PubChem ID:19892100
Update Time:2025-06-08

5-chloro-4-ethylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-4-ethylpyrimidine
    • Pyrimidine, 5-chloro-4-ethyl- (9CI)
    • 137994-42-4
    • SCHEMBL7995657
    • Inchi: 1S/C6H7ClN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
    • InChI Key: VVMFRCLFEHYVPL-UHFFFAOYSA-N
    • SMILES: ClC1=CN=CN=C1CC

Computed Properties

  • Exact Mass: 142.02991
  • Monoisotopic Mass: 142.0297759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 87.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • PSA: 25.78

5-chloro-4-ethylpyrimidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A039001752-250mg
5-Chloro-4-ethylpyrimidine
137994-42-4 98%
250mg
$792.40 2022-04-02
Alichem
A039001752-500mg
5-Chloro-4-ethylpyrimidine
137994-42-4 98%
500mg
$1,189.08 2022-04-02
Alichem
A039001752-1g
5-Chloro-4-ethylpyrimidine
137994-42-4 98%
1g
$1,543.71 2022-04-02

Additional information on 5-chloro-4-ethylpyrimidine

Introduction to 5-chloro-4-ethylpyrimidine (CAS No. 137994-42-4)

5-chloro-4-ethylpyrimidine, with the chemical formula C?H?ClN?, is a significant compound in the field of pharmaceutical and agrochemical research. This heterocyclic organic compound belongs to the pyrimidine class, which is widely recognized for its diverse biological activities and applications. The presence of both chloro and ethyl substituents on the pyrimidine ring enhances its reactivity, making it a valuable intermediate in synthetic chemistry.

The compound is identified by its unique Chemical Abstracts Service (CAS) number, CAS No. 137994-42-4, which distinguishes it from other similar molecules in chemical databases. This specificity is crucial for researchers who need to ensure the purity and identity of their samples during synthesis and characterization processes.

In recent years, 5-chloro-4-ethylpyrimidine has garnered attention due to its potential applications in drug discovery. Pyrimidine derivatives are well-documented for their role in inhibiting various enzymes and receptors, thereby influencing a wide range of biological pathways. The chloro substituent, in particular, allows for further functionalization through nucleophilic substitution reactions, enabling the creation of more complex molecules.

One of the most promising areas of research involving 5-chloro-4-ethylpyrimidine is its use as a precursor in the synthesis of antiviral and anticancer agents. Studies have shown that pyrimidine-based compounds can interfere with viral replication by inhibiting key enzymes such as reverse transcriptase. Additionally, these compounds have been explored for their ability to disrupt DNA replication in cancer cells, making them candidates for novel therapeutic strategies.

The ethyl group in 5-chloro-4-ethylpyrimidine contributes to its solubility and bioavailability, factors that are critical for pharmaceutical applications. Researchers have leveraged this property to develop prodrugs that release active pharmaceutical ingredients (APIs) under specific physiological conditions. This approach has shown promise in improving drug delivery systems, ensuring targeted action and reduced side effects.

Advances in computational chemistry have also facilitated the design of new derivatives of 5-chloro-4-ethylpyrimidine with enhanced pharmacological properties. Molecular modeling techniques allow scientists to predict the binding affinity and metabolic stability of candidate compounds before they are synthesized in the lab. This high-throughput screening approach has significantly accelerated the drug discovery process.

Furthermore, the agrochemical industry has recognized the potential of 5-chloro-4-ethylpyrimidine as a building block for developing novel pesticides and herbicides. Pyrimidine derivatives exhibit potent activity against a variety of pests by disrupting essential biological processes. The versatility of this compound makes it an attractive candidate for sustainable agriculture practices that require effective pest management solutions.

In conclusion, 5-chloro-4-ethylpyrimidine (CAS No. 137994-42-4) is a multifaceted compound with significant implications in pharmaceuticals and agrochemicals. Its unique structural features enable diverse applications, from drug development to sustainable agriculture. As research continues to uncover new uses for this compound, it is likely to remain a cornerstone of innovation in synthetic chemistry and related fields.

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