Cas no 438225-96-8 (6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide)

6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide is a specialized carbohydrazide derivative featuring a tetrahydrobenzothiophene core with a tert-butyl substituent. This compound is of interest in organic synthesis and pharmaceutical research due to its structural rigidity and functional group versatility. The tert-butyl group enhances steric stability, while the carbohydrazide moiety offers reactivity for further derivatization, such as condensation reactions to form heterocyclic scaffolds. Its well-defined molecular architecture makes it a valuable intermediate for developing bioactive molecules, particularly in medicinal chemistry applications. The compound's purity and consistent performance under controlled conditions ensure reliability in synthetic workflows.
6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide structure
438225-96-8 structure
Product Name:6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CAS No:438225-96-8
MF:C13H20N2OS
MW:252.375701904297
MDL:MFCD03419866
CID:4714265
Update Time:2025-10-21

6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide Chemical and Physical Properties

Names and Identifiers

    • 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
    • 6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbohydrazide
    • STK431799
    • BBL016723
    • ST50831306
    • R6866
    • 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
    • MDL: MFCD03419866
    • Inchi: 1S/C13H20N2OS/c1-13(2,3)8-4-5-9-10(12(16)15-14)7-17-11(9)6-8/h7-8H,4-6,14H2,1-3H3,(H,15,16)
    • InChI Key: ADZMWTXQEPTOOS-UHFFFAOYSA-N
    • SMILES: S1C=C(C(NN)=O)C2=C1CC(CC2)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 300
  • Topological Polar Surface Area: 83.4

6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide Pricemore >>

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Additional information on 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

Introduction to 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide (CAS No. 438225-96-8)

6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide, identified by the Chemical Abstracts Service Number (CAS No.) 438225-96-8, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the benzothiophene class, a structural motif widely recognized for its pharmacological properties and biological activity. The presence of a tert-butyl group at the 6-position and a carbohydrazide moiety at the 3-position introduces unique electronic and steric features that contribute to its potential utility in drug discovery and development.

The benzothiophene scaffold is a key structural component in numerous bioactive molecules, including antiviral, anticancer, and anti-inflammatory agents. The specific substitution pattern in 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide enhances its interaction with biological targets, making it a promising candidate for further investigation. Recent studies have highlighted the importance of benzothiophene derivatives in modulating enzyme activity and receptor binding, which are critical mechanisms in therapeutic intervention.

In the realm of medicinal chemistry, the carbohydrazide functional group is particularly noteworthy due to its ability to form stable hydrogen bonds and participate in coordinate covalent bonding. This feature makes 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide a versatile building block for designing novel pharmacophores. The tert-butyl group at the 6-position further influences the compound's solubility and metabolic stability, factors that are essential for drug efficacy and safety.

Recent advancements in computational chemistry have enabled researchers to predict the binding affinity of this compound to various biological targets with high accuracy. Molecular docking studies suggest that 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide may interact with enzymes such as kinases and proteases, which are implicated in several diseases. Additionally, its ability to cross the blood-brain barrier has been explored in preclinical models, indicating potential applications in central nervous system disorders.

The synthesis of 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the carbohydrazide group is particularly challenging due to its sensitivity to hydrolysis and oxidation. However, recent methodological improvements have streamlined this process, making it more efficient and scalable for industrial applications.

One of the most compelling aspects of this compound is its potential as an intermediate in the synthesis of more complex pharmaceuticals. Researchers have demonstrated its utility in generating derivatives with enhanced biological activity by modifying other positions on the benzothiophene core. For instance, replacing the tert-butyl group with other substituents can alter the compound's pharmacokinetic properties without significantly compromising its therapeutic potential.

The role of 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide in addressing unmet medical needs is further underscored by its compatibility with modern drug development strategies. Its structural features align well with current trends toward targeted therapy and personalized medicine. By leveraging cutting-edge technologies such as high-throughput screening and structure-based drug design, scientists are optimistic about uncovering new therapeutic applications for this compound.

Future research directions may focus on optimizing synthetic routes to improve yield and purity while reducing environmental impact. Additionally, exploring its potential in combination therapies could provide new insights into synergistic effects that enhance treatment outcomes. The growing body of evidence supporting the biological significance of benzothiophene derivatives makes 6-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide a cornerstone compound in contemporary medicinal chemistry research.

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