Cas no 1443327-68-1 (3-(thiomorpholin-4-ylmethyl)benzaldehyde)

3-(Thiomorpholin-4-ylmethyl)benzaldehyde is a versatile synthetic intermediate used in organic and medicinal chemistry. Its structure features a benzaldehyde core substituted with a thiomorpholin-4-ylmethyl group, offering reactivity at both the aldehyde and sulfur-containing heterocycle. This compound is particularly valuable in the synthesis of pharmacologically active molecules, where the thiomorpholine moiety can enhance binding affinity or modulate physicochemical properties. The aldehyde functionality allows for further derivatization via condensation or nucleophilic addition reactions. Its stability under standard conditions and compatibility with diverse reaction conditions make it a reliable building block for constructing complex scaffolds in drug discovery and materials science applications.
3-(thiomorpholin-4-ylmethyl)benzaldehyde structure
1443327-68-1 structure
Product Name:3-(thiomorpholin-4-ylmethyl)benzaldehyde
CAS No:1443327-68-1
MF:C12H15NOS
MW:221.318601846695
MDL:MFCD07782415
CID:5150848
Update Time:2026-03-03

3-(thiomorpholin-4-ylmethyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(thiomorpholin-4-ylmethyl)benzaldehyde
    • MDL: MFCD07782415
    • Inchi: 1S/C12H15NOS/c14-10-12-3-1-2-11(8-12)9-13-4-6-15-7-5-13/h1-3,8,10H,4-7,9H2
    • InChI Key: ZFIRBKPGMZDOEF-UHFFFAOYSA-N
    • SMILES: C(=O)C1=CC=CC(CN2CCSCC2)=C1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3

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Additional information on 3-(thiomorpholin-4-ylmethyl)benzaldehyde

Comprehensive Overview of 3-(thiomorpholin-4-ylmethyl)benzaldehyde (CAS No. 1443327-68-1)

3-(thiomorpholin-4-ylmethyl)benzaldehyde (CAS No. 1443327-68-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties. This compound belongs to the class of benzaldehyde derivatives, which are widely utilized as intermediates in the synthesis of various bioactive molecules. The incorporation of a thiomorpholine moiety enhances its potential applications in drug discovery, particularly in the development of kinase inhibitors and central nervous system (CNS) targeting agents.

In recent years, the demand for custom synthesis intermediates like 3-(thiomorpholin-4-ylmethyl)benzaldehyde has surged, driven by advancements in medicinal chemistry and high-throughput screening. Researchers are particularly interested in its role as a building block for designing novel small-molecule therapeutics. The compound's aldehyde functional group offers versatile reactivity, enabling condensation reactions and Schiff base formation, which are critical for constructing complex molecular architectures.

The synthesis of 3-(thiomorpholin-4-ylmethyl)benzaldehyde typically involves multistep organic reactions, including reductive amination and oxidation steps. Its CAS No. 1443327-68-1 serves as a unique identifier in chemical databases, facilitating precise tracking in patent literature and regulatory submissions. The compound's molecular weight and solubility profile make it suitable for solution-phase chemistry, a key factor in combinatorial library synthesis.

From an industrial perspective, 3-(thiomorpholin-4-ylmethyl)benzaldehyde aligns with the growing trend of fragment-based drug design (FBDD). Its scaffold diversity allows for the exploration of structure-activity relationships (SAR) in targeted therapy development. Additionally, the compound's thiomorpholine ring contributes to improved metabolic stability, a hot topic in ADME (Absorption, Distribution, Metabolism, Excretion) optimization studies.

Environmental and safety considerations are also paramount when handling 3-(thiomorpholin-4-ylmethyl)benzaldehyde. While not classified as hazardous, proper laboratory protocols should be followed to ensure safe storage and handling. The compound's stability under ambient conditions and compatibility with common organic solvents further enhance its practicality in industrial-scale production.

In conclusion, 3-(thiomorpholin-4-ylmethyl)benzaldehyde (CAS No. 1443327-68-1) represents a valuable tool for researchers exploring next-generation therapeutics. Its structural versatility and synthetic accessibility position it as a key player in the evolving landscape of drug discovery and chemical biology. As the pharmaceutical industry continues to prioritize innovative synthetic methodologies, compounds like this will remain at the forefront of scientific inquiry.

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