Cas no 1956326-67-2 (2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine)

2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine is a heterocyclic compound featuring a pyranopyrimidine core with a 4-bromophenyl substituent at the 2-position and a chloro group at the 4-position. This structure imparts significant potential in medicinal chemistry, particularly as a scaffold for developing kinase inhibitors or other biologically active molecules. The bromophenyl moiety enhances reactivity for further functionalization via cross-coupling reactions, while the chloro group offers a handle for nucleophilic substitution. Its fused pyranopyrimidine system contributes to rigidity, which can improve binding affinity in target interactions. The compound is suited for research applications in drug discovery and organic synthesis, where its modular design allows for diverse derivatization.
2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine structure
1956326-67-2 structure
Product Name:2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
CAS No:1956326-67-2
MF:C13H10BrClN2O
MW:325.588301181793
CID:4817712
Update Time:2025-10-29

2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-(4-BROMOPHENYL)-4-CHLORO-7,8-DIHYDRO-5H-PYRANO[4,3-D]PYRIMIDINE
    • 2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
    • Inchi: 1S/C13H10BrClN2O/c14-9-3-1-8(2-4-9)13-16-11-5-6-18-7-10(11)12(15)17-13/h1-4H,5-7H2
    • InChI Key: OFWUFUVLCZNQIR-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1N=C(C2COCCC=2N=1)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 286
  • XLogP3: 3.2
  • Topological Polar Surface Area: 35

2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A089005755-1g
2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
1956326-67-2 97%
1g
$1614.29 2023-09-02
Chemenu
CM513387-1g
2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
1956326-67-2 97%
1g
$1396 2022-06-12

Additional information on 2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine

Comprehensive Overview of 2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine (CAS No. 1956326-67-2)

2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine (CAS No. 1956326-67-2) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features and potential biological activities. This compound belongs to the pyrano[4,3-D]pyrimidine family, a class of molecules known for their diverse applications in drug discovery and material science. Researchers are particularly interested in its bromophenyl and chloro substituents, which contribute to its reactivity and binding affinity in molecular interactions.

The growing demand for novel heterocyclic compounds in medicinal chemistry has placed 2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine under the spotlight. Recent studies highlight its potential as a scaffold for designing kinase inhibitors, a hot topic in cancer research and autoimmune disease treatment. Its pyrimidine core is structurally similar to purine bases, making it a candidate for modulating enzymatic pathways. Additionally, the 4-bromophenyl group enhances its lipophilicity, a critical factor in drug bioavailability—a frequently searched term in pharmacokinetics discussions.

From a synthetic chemistry perspective, the compound’s CAS No. 1956326-67-2 serves as a key identifier for researchers exploring its derivatives. Its pyrano-pyrimidine hybrid structure offers versatility in functionalization, aligning with trends in fragment-based drug design (FBDD). Questions like “How to modify pyrano[4,3-D]pyrimidine for improved solubility?” or “What are the applications of bromophenyl-substituted heterocycles?” reflect common queries in academic and industrial forums. These discussions often emphasize the compound’s role in addressing challenges such as drug resistance and metabolic stability.

In agrochemical applications, 2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine is investigated for its potential as a precursor to crop protection agents. The chloro and bromo moieties are pivotal in enhancing pesticidal activity, a subject trending in sustainable agriculture research. Searches for “eco-friendly heterocyclic pesticides” or “pyrimidine-based agrochemicals” underscore the industry’s shift toward greener alternatives, where this compound’s derivatization could play a role.

Analytical techniques such as NMR, HPLC, and LC-MS are essential for characterizing CAS No. 1956326-67-2, ensuring purity and consistency—a priority for regulatory compliance. The compound’s chromatographic behavior and spectral properties are frequently documented in open-access databases, catering to the rising demand for transparent scientific data. Keywords like “pyrano[4,3-D]pyrimidine synthesis optimization” or “4-bromophenyl compound stability” dominate scholarly search trends, reflecting its interdisciplinary relevance.

In conclusion, 2-(4-Bromophenyl)-4-chloro-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine represents a multifaceted tool for innovation across life sciences. Its structural complexity and functional adaptability align with current research paradigms, from targeted therapy development to sustainable chemistry. As exploration of heterocyclic frameworks expands, this compound’s profile will likely evolve, addressing emerging scientific and industrial needs.

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