Cas no 596114-50-0 (2-Chloro-5-isopropylpyrimidine)

2-Chloro-5-isopropylpyrimidine structure
596114-50-0 structure
Product Name:2-Chloro-5-isopropylpyrimidine
CAS No:596114-50-0
MF:C7H9ClN2
MW:156.612760305405
MDL:MFCD11109833
CID:838720
PubChem ID:19846672
Update Time:2025-11-01

2-Chloro-5-isopropylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-isopropylpyrimidine
    • 2-chloro-5-propan-2-ylpyrimidine
    • Pyrimidine, 2-chloro-5-(1-methylethyl)- (9CI)
    • 2-chloro-5-(propan-2-yl)pyrimidine
    • CS-W006023
    • GS2573
    • ALBB-018585
    • Pyrimidine,2-chloro-5-(1-methylethyl)-(9ci)
    • DTXSID80600562
    • 2-chloro-5-(propan-2-yl) pyrimidine
    • SCHEMBL459264
    • 596114-50-0
    • 2-chloro-5-isopropyl-pyrimidine
    • DS-10631
    • DB-072666
    • QFLAUXDLHKYUIA-UHFFFAOYSA-N
    • 2-chloro-5-(1-methylethyl)pyrimidine
    • MFCD11109833
    • SB57546
    • AKOS006309547
    • Pyrimidine, 2-chloro-5-(1-methylethyl)-
    • MDL: MFCD11109833
    • Inchi: 1S/C7H9ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-5H,1-2H3
    • InChI Key: QFLAUXDLHKYUIA-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(C=N1)C(C)C

Computed Properties

  • Exact Mass: 156.04500
  • Monoisotopic Mass: 156.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 97.8
  • 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: 2.3
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.135
  • Melting Point: No data available
  • Boiling Point: 247.7℃ at 760 mmHg
  • Flash Point: 127.6°C
  • Refractive Index: 1.513
  • PSA: 25.78000
  • LogP: 2.25340

2-Chloro-5-isopropylpyrimidine Pricemore >>

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Additional information on 2-Chloro-5-isopropylpyrimidine

Professional Introduction to 2-Chloro-5-isopropylpyrimidine (CAS No. 596114-50-0)

2-Chloro-5-isopropylpyrimidine, with the chemical formula C?H?ClN?, is a significant compound in the field of pharmaceutical and agrochemical research. This heterocyclic organic compound features a pyrimidine core substituted with a chlorine atom at the 2-position and an isopropyl group at the 5-position. Its unique structural attributes make it a valuable intermediate in the synthesis of various biologically active molecules.

The CAS number 596114-50-0 provides a unique identifier for this compound, ensuring precise classification and referencing in scientific literature and industrial applications. The presence of both electrophilic and nucleophilic sites in its structure allows for diverse chemical transformations, making it a versatile building block in organic synthesis.

In recent years, 2-Chloro-5-isopropylpyrimidine has garnered attention for its role in developing novel therapeutic agents. Pyrimidine derivatives are well-documented for their pharmacological properties, including antiviral, anticancer, and antimicrobial activities. The chloro-substituent at the 2-position enhances reactivity, facilitating further functionalization to create more complex structures with tailored biological effects.

One of the most compelling applications of 2-Chloro-5-isopropylpyrimidine is in the synthesis of nucleoside analogs. These analogs mimic natural nucleosides and are pivotal in inhibiting viral replication by interfering with DNA or RNA synthesis. Current research highlights its potential in developing treatments for RNA viruses, such as those responsible for emerging infectious diseases. The isopropyl group contributes to steric hindrance, influencing binding affinity and selectivity in drug design.

Advances in medicinal chemistry have demonstrated that modifications at the pyrimidine ring can significantly alter pharmacokinetic profiles. For instance, incorporating bulky groups like isopropyl can enhance metabolic stability while maintaining target binding efficacy. This balance is crucial for optimizing drug candidates for clinical use.

The agrochemical sector also benefits from derivatives of 2-Chloro-5-isopropylpyrimidine, particularly in the development of novel pesticides and herbicides. Pyrimidine-based compounds exhibit potent activity against a range of pests by disrupting essential biological pathways. The chlorine atom serves as a handle for further derivatization, enabling chemists to fine-tune properties such as bioavailability and environmental persistence.

Recent studies have explored the use of 2-Chloro-5-isopropylpyrimidine in material science, particularly in designing organic semiconductors. The conjugated system within pyrimidine derivatives allows for electron delocalization, making them suitable candidates for optoelectronic applications. Researchers are investigating its potential in creating light-emitting diodes (LEDs) and photovoltaic cells, contributing to sustainable energy solutions.

Synthetic methodologies for 2-Chloro-5-isopropylpyrimidine have seen significant refinement over the past decade. Modern techniques leverage catalytic processes to improve yield and reduce waste, aligning with green chemistry principles. Transition metal-catalyzed cross-coupling reactions are particularly useful in constructing complex pyrimidine frameworks efficiently.

The industrial production of 2-Chloro-5-isopropylpyrimidine adheres to stringent quality control measures to ensure consistency across batches. Analytical techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are employed to verify purity and structural integrity before commercial distribution.

Future research directions may explore the role of 2-Chloro-5-isopropylpyrimidine in addressing neurological disorders. Pyrimidine derivatives have shown promise in modulating neurotransmitter systems, suggesting potential applications in treating conditions like Alzheimer's disease or Parkinson's disease. The interplay between structure and function remains a focal point for innovation.

In conclusion, 2-Chloro-5-isopropylpyrimidine (CAS No. 596114-50-0) represents a cornerstone compound with far-reaching implications across multiple scientific disciplines. Its versatility as a synthetic intermediate continues to drive advancements in pharmaceuticals, agriculture, and materials science. As research progresses, new applications and optimizations are likely to emerge, reinforcing its importance in modern chemistry.

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