Cas no 72183-73-4 (2-tert-butyl-1-methylcyclohexan-1-ol)

2-tert-Butyl-1-methylcyclohexan-1-ol is a tertiary alcohol featuring a cyclohexane backbone substituted with a tert-butyl group at the 2-position and a methyl group at the 1-position. This sterically hindered structure imparts stability and influences its reactivity, making it useful in synthetic organic chemistry as an intermediate or building block. The tert-butyl group enhances steric bulk, potentially affecting selectivity in reactions such as oxidation or substitution. Its defined stereochemistry may also be leveraged in asymmetric synthesis or chiral resolution studies. The compound’s stability under various conditions makes it suitable for applications requiring robust intermediates in pharmaceutical or fine chemical synthesis.
2-tert-butyl-1-methylcyclohexan-1-ol structure
72183-73-4 structure
Product Name:2-tert-butyl-1-methylcyclohexan-1-ol
CAS No:72183-73-4
MF:C11H22O
MW:170.291783809662
CID:3411085
PubChem ID:530356
Update Time:2025-05-20

2-tert-butyl-1-methylcyclohexan-1-ol Chemical and Physical Properties

Names and Identifiers

    • CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-1-METHYL-
    • 2-(Tert-butyl)-1-methylcyclohexan-1-ol
    • 2-tert-butyl-1-methylcyclohexan-1-ol
    • EN300-1635888
    • CS-0353217
    • 72183-73-4
    • SCHEMBL6444791
    • Inchi: 1S/C11H22O/c1-10(2,3)9-7-5-6-8-11(9,4)12/h9,12H,5-8H2,1-4H3
    • InChI Key: KBIPDYYQSKEUOC-UHFFFAOYSA-N
    • SMILES: C1(C)(O)CCCCC1C(C)(C)C

Computed Properties

  • Exact Mass: 170.167065321Da
  • Monoisotopic Mass: 170.167065321Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 157
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 20.2?2

2-tert-butyl-1-methylcyclohexan-1-ol Pricemore >>

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Additional information on 2-tert-butyl-1-methylcyclohexan-1-ol

2-Tert-butyl-1-methylcyclohexan-1-ol: A Comprehensive Overview

The compound with CAS No. 72183-73-4, commonly referred to as 2-tert-butyl-1-methylcyclohexan-1-ol, is a significant molecule in the field of organic chemistry. This compound is characterized by its unique structure, which combines a cyclohexane ring with a tertiary butyl group and a methyl group at specific positions. The presence of the hydroxyl (-OH) group at the 1-position further enhances its chemical reactivity and functional versatility. Recent studies have highlighted its potential applications in various industries, including pharmaceuticals, agrochemicals, and specialty chemicals.

2-Tert-butyl-1-methylcyclohexan-1-ol exhibits interesting physical and chemical properties that make it a valuable compound for synthetic purposes. Its molecular weight is approximately 206.34 g/mol, and it exists as a white crystalline solid under standard conditions. The compound is sparingly soluble in water but shows good solubility in organic solvents such as dichloromethane, diethyl ether, and acetone. These properties are crucial for its use in various chemical reactions, including nucleophilic substitutions, oxidations, and reductions.

Recent advancements in synthetic methodologies have led to more efficient ways of producing 2-tert-butyl-1-methylcyclohexan-1-ol. One such method involves the catalytic hydrogenation of the corresponding ketone derivative. This approach not only improves yield but also reduces the environmental footprint of the synthesis process. Additionally, researchers have explored the use of transition metal catalysts to facilitate selective transformations of this compound into more complex structures.

The chemical stability of 2-Tert-butyl-1-methylcyclohexan-1-ol has been extensively studied under various conditions. It is relatively stable under normal storage conditions but can undergo oxidation under specific circumstances, leading to the formation of dihydroxy derivatives. These derivatives have shown promise in pharmacological studies, particularly in anti-inflammatory and antioxidant assays.

In terms of applications, 2-Tert-butyl-1-methylcyclohexan-1-ol has found utility as an intermediate in the synthesis of bioactive compounds. For instance, it serves as a key building block in the preparation of certain pharmaceutical agents targeting inflammatory diseases. Its ability to act as a chiral auxiliary has also made it valuable in asymmetric synthesis strategies.

Recent research has also explored the use of 2-Tert-butyl-1-methylcyclohexan-1-ol in the development of novel materials with tailored properties. By incorporating this compound into polymer systems, scientists have achieved enhanced mechanical strength and thermal stability. Such materials hold potential for applications in aerospace and automotive industries.

The safety profile of 2-Tert-butyl-1-methylcyclohexan-1-ol has been evaluated according to current regulatory standards. It is classified as non-toxic under normal handling conditions but should be stored away from strong oxidizing agents to prevent unintended reactions.

In conclusion, 2-Tert-butyl-1-methylcyclohexan-1 ol is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure and reactivity continue to attract attention from researchers worldwide, driving innovation in both academic and industrial settings.

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