Cas no 1249698-36-9 (2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]-)

2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]-, is a pyrimidine derivative featuring a 3-chlorobenzyl substitution at the amine position. This compound is of interest in medicinal and agrochemical research due to its potential as a building block for biologically active molecules. The pyrimidine core offers versatility in chemical modifications, while the chlorophenyl group enhances lipophilicity, potentially improving membrane permeability. Its well-defined structure allows for precise synthetic applications, making it valuable in the development of pharmaceuticals, such as kinase inhibitors or antimicrobial agents. The presence of the chlorine atom also provides a handle for further functionalization, enabling tailored derivatization for structure-activity relationship studies. Suitable for controlled reactions under standard laboratory conditions.
2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]- structure
1249698-36-9 structure
Product Name:2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]-
CAS No:1249698-36-9
MF:C11H10ClN3
MW:219.670200824738
CID:5708885
Update Time:2025-10-28

2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]-
    • Inchi: 1S/C11H10ClN3/c12-10-4-1-3-9(7-10)8-15-11-13-5-2-6-14-11/h1-7H,8H2,(H,13,14,15)
    • InChI Key: UZQPIAJFIWHWQT-UHFFFAOYSA-N
    • SMILES: C1(NCC2=CC=CC(Cl)=C2)=NC=CC=N1

Experimental Properties

  • Density: 1.307±0.06 g/cm3(Predicted)
  • Boiling Point: 391.9±44.0 °C(Predicted)
  • pka: 3.41±0.10(Predicted)

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Additional information on 2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]-

Comprehensive Overview of 2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]- (CAS No. 1249698-36-9)

2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]- (CAS No. 1249698-36-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its pyrimidine core and 3-chlorobenzyl substitution, is a key intermediate in the synthesis of bioactive molecules. Its unique structure makes it a valuable building block for drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents. Researchers are increasingly exploring its potential applications due to its modular design and compatibility with modern synthetic methodologies.

The growing interest in N-[(3-chlorophenyl)methyl]pyrimidin-2-amine aligns with current trends in precision medicine and targeted therapy. As the pharmaceutical industry shifts toward personalized treatment approaches, compounds like CAS 1249698-36-9 are being investigated for their ability to interact with specific biological targets. Recent studies suggest its derivatives may play roles in modulating cellular signaling pathways, a hot topic in cancer research and immunotherapy. These applications are frequently searched in academic databases, reflecting the compound's relevance to contemporary biomedical challenges.

From a chemical perspective, the 2-aminopyrimidine scaffold in this compound is noteworthy for its hydrogen-bonding capabilities, which are crucial for molecular recognition in drug-receptor interactions. The 3-chlorobenzyl moiety adds lipophilicity, potentially enhancing membrane permeability—a property highly sought after in central nervous system (CNS) drug development. This dual functionality explains why researchers often search for "pyrimidine derivatives for blood-brain barrier penetration" or "chlorophenyl-modified bioactive compounds" in scientific literature.

In material science applications, CAS 1249698-36-9 has shown promise as a precursor for organic electronic materials. Its conjugated system and aromatic character make it interesting for optoelectronic device research, particularly in the development of organic light-emitting diodes (OLEDs) and photovoltaic materials. These applications resonate with the global push for sustainable technologies and are frequently discussed in forums about green chemistry and renewable energy solutions.

The synthesis of 2-Pyrimidinamine, N-[(3-chlorophenyl)methyl]- typically involves nucleophilic aromatic substitution or cross-coupling reactions, topics that dominate organic chemistry search queries. Process optimization for this compound often appears in discussions about atom economy and catalytic efficiency, reflecting the chemical industry's focus on sustainable production methods. Analytical characterization using NMR spectroscopy and mass spectrometry confirms its structural integrity, with these techniques being common search terms among quality control professionals.

Environmental considerations surrounding halogenated compounds like this have prompted research into its biodegradation pathways and ecotoxicological profile. These aspects are increasingly important to regulatory bodies and environmental scientists, as evidenced by search trends focusing on "green synthesis of chlorinated heterocycles" and "environmental fate of aromatic amines." Such inquiries highlight the compound's intersection with green chemistry principles and sustainable development goals.

In the patent landscape, derivatives of N-[(3-chlorophenyl)methyl]pyrimidin-2-amine appear in numerous applications, particularly for crop protection formulations and veterinary medicines. This commercial relevance drives frequent searches for "pyrimidine-based agrochemicals" and "chlorophenyl compounds in animal health." The compound's versatility across industries makes it a frequent subject in intellectual property discussions and technology transfer negotiations.

Future research directions for CAS 1249698-36-9 likely include exploration of its structure-activity relationships through computational chemistry approaches. The rise of AI-assisted drug discovery has created new search patterns around "machine learning for heterocyclic compound optimization" and "in silico screening of pyrimidine libraries." These cutting-edge applications position the compound at the forefront of digital chemistry innovation while maintaining its traditional value in synthetic organic chemistry.

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