Cas no 475059-74-6 ((4-tert-butyl-1,3-thiazol-2-yl)methanol)

(4-tert-butyl-1,3-thiazol-2-yl)methanol structure
475059-74-6 structure
Product Name:(4-tert-butyl-1,3-thiazol-2-yl)methanol
CAS No:475059-74-6
MF:C8H13NOS
MW:171.259920835495
MDL:MFCD12827486
CID:1087871
PubChem ID:22063786
Update Time:2025-07-23

(4-tert-butyl-1,3-thiazol-2-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (4-(tert-Butyl)thiazol-2-yl)methanol
    • (4-tert-Butyl-1,3-thiazol-2-yl)methanol hydrochloride
    • (4-tert-butyl-1,3-thiazol-2-yl)methanol(SALTDATA: 1HCl 0.03NaBr)
    • [4-(2-Methyl-2-propanyl)-1,3-thiazol-2-yl]methanol
    • (4-tert-butyl-1,3-thiazol-2-yl)methanol
    • OQMKVPYMYZSPCO-UHFFFAOYSA-N
    • 4-tert-butyl-2-(hydroxymethyl)thiazole
    • AK124873
    • [4-(tert-Butyl)-1,3-thiazol-2-yl]methanol
    • [4-( tert-Butyl)-1,3-thiazol-2-yl]methanol
    • (4-tert-butyl-1,3-thiazol-2-yl)methanol(SALTDATA
    • 2-thiazolemethanol, 4-(1,1-dimethylethyl)-, hydrochloride
    • DS-4693
    • C75264
    • 475059-74-6
    • SCHEMBL5908628
    • ALBB-028810
    • DB-160746
    • CS-0154885
    • AKOS012221042
    • A914750
    • MFCD12827486
    • MDL: MFCD12827486
    • Inchi: 1S/C8H13NOS/c1-8(2,3)6-5-11-7(4-10)9-6/h5,10H,4H2,1-3H3
    • InChI Key: OQMKVPYMYZSPCO-UHFFFAOYSA-N
    • SMILES: S1C(CO)=NC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 171.07178521g/mol
  • Monoisotopic Mass: 171.07178521g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 133
  • 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
  • Topological Polar Surface Area: 61.4
  • XLogP3: 1.8

Experimental Properties

  • Boiling Point: 249.9±23.0°C at 760 mmHg

(4-tert-butyl-1,3-thiazol-2-yl)methanol Security Information

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Additional information on (4-tert-butyl-1,3-thiazol-2-yl)methanol

Introduction to (4-tert-butyl-1,3-thiazol-2-yl)methanol (CAS No. 475059-74-6)

(4-tert-butyl-1,3-thiazol-2-yl)methanol, with the CAS number 475059-74-6, is a significant compound in the field of pharmaceutical and chemical research. This compound belongs to the thiazole derivatives, a class of heterocyclic compounds that have garnered considerable attention due to their diverse biological activities and potential applications in medicinal chemistry.

The structure of (4-tert-butyl-1,3-thiazol-2-yl)methanol consists of a thiazole ring substituted with a tert-butyl group at the 4-position and a hydroxymethyl group at the 2-position. The thiazole core is a crucial pharmacophore in many bioactive molecules, contributing to their interaction with biological targets. The presence of the hydroxymethyl group introduces a polar functional group that can enhance solubility and binding affinity in biological systems.

In recent years, there has been growing interest in thiazole derivatives due to their broad spectrum of biological activities. These compounds have been investigated for their potential as antimicrobial, antiviral, anti-inflammatory, and anticancer agents. The tert-butyl group in (4-tert-butyl-1,3-thiazol-2-yl)methanol not only enhances the steric properties of the molecule but also influences its electronic distribution, which can be critical for its interaction with biological targets.

One of the most compelling aspects of (4-tert-butyl-1,3-thiazol-2-yl)methanol is its versatility in drug design. The hydroxymethyl group provides a site for further functionalization, allowing chemists to modify the compound into more complex derivatives with tailored biological properties. This flexibility has made it a valuable scaffold in the development of novel therapeutic agents.

Recent studies have highlighted the importance of thiazole derivatives in addressing various therapeutic challenges. For instance, research has demonstrated that certain thiazole-based compounds can inhibit the growth of multidrug-resistant bacteria, making them promising candidates for combating antibiotic resistance. Additionally, these compounds have shown potential in targeting specific enzymes and receptors involved in cancer progression.

The synthesis of (4-tert-butyl-1,3-thiazol-2-yl)methanol involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the final product meets the stringent requirements of pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and nucleophilic substitution have been particularly useful in constructing the desired thiazole framework.

The pharmacological evaluation of (4-tert-butyl-1,3-thiazol-2-yl)methanol has revealed several interesting properties. In vitro studies have shown that this compound can interact with various biological targets, including enzymes and receptors relevant to human health. These interactions often lead to modulatory effects on cellular processes, which can be exploited for therapeutic purposes.

Furthermore, the use of computational chemistry techniques has enhanced our understanding of how (4-tert-butyl-1,3-thiazol-2-yl)methanol interacts with its biological targets. Molecular docking simulations and quantum mechanical calculations have provided insights into the binding modes and affinity of this compound, guiding further optimization efforts.

The potential applications of (4-tert-butyl-1,3-thiazol-2-yl)methanol extend beyond traditional pharmaceuticals. Researchers are exploring its use in agrochemicals and material science due to its structural features and chemical properties. These interdisciplinary applications highlight the versatility and importance of this compound in modern chemistry.

In conclusion, (4-tert-butyl-1,3-thiazol-2-y)methanol (CAS No. 475059-74-6) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structure and diverse biological activities make it a valuable scaffold for developing novel therapeutic agents. Ongoing research continues to uncover new applications and mechanisms associated with this compound, underscoring its importance in advancing chemical and medicinal sciences.

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