Cas no 1173704-84-1 (3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile)

3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile is a versatile synthetic intermediate with applications in pharmaceutical and agrochemical research. Its structure features a hydroxyl group and a nitrile functionality adjacent to a 4-methylthiazole ring, enabling diverse reactivity for further derivatization. The compound is particularly valuable in the synthesis of heterocyclic compounds due to its ability to participate in cyclization and condensation reactions. Its high purity and stability under standard conditions make it suitable for precise laboratory use. The presence of both polar and non-polar moieties enhances its solubility in a range of solvents, facilitating its incorporation into complex synthetic pathways. This compound is often employed in the development of biologically active molecules.
3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile structure
1173704-84-1 structure
Product Name:3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile
CAS No:1173704-84-1
MF:C7H8N2OS
MW:168.216219902039
CID:5695311
PubChem ID:44220854
Update Time:2025-05-21

3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • EN300-1269305
    • 3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile
    • 1173704-84-1
    • 2-Thiazolepropanenitrile, β-hydroxy-4-methyl-
    • 3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile
    • Inchi: 1S/C7H8N2OS/c1-5-4-11-7(9-5)6(10)2-3-8/h4,6,10H,2H2,1H3
    • InChI Key: LMJVQHFAYYFVCQ-UHFFFAOYSA-N
    • SMILES: S1C=C(C)N=C1C(CC#N)O

Computed Properties

  • Exact Mass: 168.03573406g/mol
  • Monoisotopic Mass: 168.03573406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 85.2?2

Experimental Properties

  • Density: 1.300±0.06 g/cm3(Predicted)
  • Boiling Point: 348.9±37.0 °C(Predicted)
  • pka: 11.65±0.20(Predicted)

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Additional information on 3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile

Introduction to Compound CAS No. 1173704-84-1: 3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile

The compound with CAS No. 1173704-84-1, known as 3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile, is a unique organic molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of nitriles and features a hydroxyl group attached to a thiazole ring system, making it a versatile structure with potential applications in drug design and material science.

Recent studies have highlighted the importance of thiazole derivatives in medicinal chemistry due to their diverse biological activities. The presence of the hydroxyl group in this compound adds another layer of functional diversity, enabling it to participate in various chemical reactions and interactions. Researchers have explored its potential as a building block for constructing bioactive molecules, particularly in the development of anti-inflammatory and antioxidant agents.

The structural uniqueness of 3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yl)propanenitrile lies in its thiazole ring, which is a five-membered heterocycle containing sulfur and nitrogen atoms. This ring system is known for its stability and ability to undergo various substitution reactions, making it a valuable component in synthetic chemistry. The methyl group attached to the thiazole ring further enhances its chemical reactivity and selectivity in different reaction conditions.

In terms of synthesis, this compound can be prepared through a variety of methods, including nucleophilic substitution and condensation reactions. Recent advancements in catalytic methods have made it possible to synthesize this compound with higher yields and greater precision. These improvements have facilitated its use in large-scale production for both academic research and industrial applications.

The biological activity of CAS No. 1173704-84-1 has been extensively studied, particularly its role as an intermediate in drug discovery processes. Experimental data indicate that this compound exhibits moderate anti-proliferative activity against certain cancer cell lines, suggesting its potential as a lead compound for developing anticancer therapies. Additionally, it has shown promise in modulating enzyme activities, which could be exploited for designing enzyme inhibitors.

From an environmental perspective, the stability and biodegradability of this compound are critical factors that need to be considered for its safe handling and disposal. Recent eco-toxicological studies have provided insights into its environmental fate, emphasizing the importance of responsible use in industrial settings.

In conclusion, the compound with CAS No. 1173704-84-1, or 3-Hydroxy-3-(4-methyl-1,3-thiazol-2-yli)propanenitrile, represents a significant advancement in organic chemistry due to its unique structure and versatile applications. As research continues to uncover new properties and potential uses for this compound, it is expected to play an increasingly important role in both academic and industrial settings.

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