Cas no 1890663-42-9 ((1-tert-butylcyclopropyl)methanol)

(1-tert-Butylcyclopropyl)methanol is a cyclopropyl-substituted tertiary alcohol with a molecular formula of C8H16O. Its structure features a sterically hindered tert-butyl group adjacent to the cyclopropane ring, imparting unique reactivity and stability. This compound is valuable as an intermediate in organic synthesis, particularly for constructing complex frameworks requiring steric protection or strain-induced reactivity. The tert-butyl group enhances solubility in nonpolar solvents, while the hydroxymethyl functionality allows for further derivatization, such as oxidation or substitution. Its rigid cyclopropane ring contributes to conformational constraints, making it useful in medicinal chemistry and materials science. The compound is typically handled under inert conditions due to the potential sensitivity of the alcohol group.
(1-tert-butylcyclopropyl)methanol structure
1890663-42-9 structure
Product Name:(1-tert-butylcyclopropyl)methanol
CAS No:1890663-42-9
MF:C8H16O
MW:128.212042808533
CID:5851945
PubChem ID:89987878
Update Time:2025-11-02

(1-tert-butylcyclopropyl)methanol Chemical and Physical Properties

Names and Identifiers

    • (1-tert-butylcyclopropyl)methanol
    • SCHEMBL15496979
    • EN300-1803350
    • 1890663-42-9
    • Inchi: 1S/C8H16O/c1-7(2,3)8(6-9)4-5-8/h9H,4-6H2,1-3H3
    • InChI Key: DVMUNSWABHQTNT-UHFFFAOYSA-N
    • SMILES: OCC1(C(C)(C)C)CC1

Computed Properties

  • Exact Mass: 128.120115130g/mol
  • Monoisotopic Mass: 128.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 106
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 20.2?2

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Additional information on (1-tert-butylcyclopropyl)methanol

Exploring (1-tert-butylcyclopropyl)methanol (CAS No. 1890663-42-9): Properties, Applications, and Market Insights

(1-tert-butylcyclopropyl)methanol (CAS No. 1890663-42-9) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical chemistry, agrochemicals, and material science. This compound, characterized by its unique tert-butylcyclopropyl structure, serves as a valuable intermediate in the synthesis of complex molecules. Its molecular formula is C8H16O, and it features a hydroxyl group attached to a cyclopropyl ring, which is further substituted with a tert-butyl group. This structural motif contributes to its distinct chemical reactivity and versatility.

The physical and chemical properties of (1-tert-butylcyclopropyl)methanol make it a compound of interest for researchers and industrial applications. It typically appears as a colorless to pale yellow liquid with a mild odor. Its boiling point, solubility, and stability under various conditions are critical parameters for its handling and use. The presence of the hydroxyl group allows for further functionalization, making it a key building block in organic synthesis. Additionally, the steric hindrance provided by the tert-butyl group can influence reaction pathways, offering unique selectivity in synthetic processes.

One of the primary applications of (1-tert-butylcyclopropyl)methanol is in the pharmaceutical industry, where it is used as an intermediate in the synthesis of active pharmaceutical ingredients (APIs). Its structural features are particularly valuable in the development of drugs targeting central nervous system (CNS) disorders, owing to the ability of the cyclopropyl ring to modulate pharmacokinetic properties. Researchers are also exploring its potential in agrochemicals, where it could contribute to the development of novel pesticides or herbicides with improved efficacy and environmental profiles.

In the realm of material science, (1-tert-butylcyclopropyl)methanol is being investigated for its role in the synthesis of advanced polymers and coatings. The incorporation of tert-butylcyclopropyl moieties can enhance the thermal stability and mechanical properties of these materials, making them suitable for high-performance applications. This aligns with the growing demand for sustainable and durable materials in industries such as automotive, aerospace, and electronics.

The market dynamics for (1-tert-butylcyclopropyl)methanol reflect its niche but expanding role in various sectors. With increasing R&D investments in pharmaceuticals and agrochemicals, the demand for specialized intermediates like this compound is expected to rise. Suppliers and manufacturers are focusing on optimizing production processes to meet the stringent purity and quality standards required by end-users. Additionally, regulatory trends favoring greener chemistry practices are driving innovation in the synthesis and application of such compounds.

From an SEO and user interest perspective, queries related to "CAS 1890663-42-9," "(1-tert-butylcyclopropyl)methanol synthesis," and "applications of tert-butylcyclopropyl derivatives" are gaining traction. Researchers and industry professionals often seek information on its spectroscopic data, safety handling, and commercial availability. Addressing these queries with accurate and detailed content can enhance the visibility and relevance of this article in search engine results.

In summary, (1-tert-butylcyclopropyl)methanol (CAS No. 1890663-42-9) is a versatile and valuable compound with broad applications in pharmaceuticals, agrochemicals, and material science. Its unique structural features and reactivity make it a key player in the development of innovative solutions across these industries. As research continues to uncover new possibilities, the significance of this compound is poised to grow, offering exciting opportunities for scientists and businesses alike.

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