2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
[CAS# 61597-37-3]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Alcohol
• Name: 2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
• Synonyms: 4-Methoxy-alpha,alpha-dimethylcyclohexa-1,4-diene-1-methanol
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23
• CAS Registry Number: 61597-37-3
• EC Number: 262-864-7
• SMILES: CC(C)(C1=CCC(=CC1)OC)O

Properties

• Density: 1.0±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.502, Calc.^*
• Boiling Point: 272.2±40.0 °C (760 mmHg), Calc.^*
• Flash Point: 112.2±21.6 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H332-H335
• Safety Statements: P261-P280-P305+P351+P338

Discovery and Applications

2-(4-Methoxycyclohexa-1,4-dien-1-yl)propan-2-ol is a chemical compound characterized by its distinctive structure, which combines a methoxy-substituted cyclohexadiene ring and a propanol group. This structure suggests potential for bioactive properties and applications in various areas of medicinal chemistry and organic synthesis. The presence of the methoxy group on the aromatic ring enhances its chemical reactivity, making it a valuable intermediate in the synthesis of more complex molecules.

The compound was discovered in the context of developing new organic compounds with specific reactivity profiles for use in the synthesis of pharmaceuticals and agrochemicals. Cyclohexadienes and their derivatives are known for their ability to undergo various reactions such as electrophilic aromatic substitution, cycloaddition, and reduction, which can lead to the formation of diverse functionalized molecules. This makes 2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol a potential candidate for further research in these areas.

In terms of applications, the methoxy group attached to the cyclohexadiene ring in 2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol makes it a versatile molecule for the synthesis of compounds used in medicinal chemistry. The compound's structure, which combines the propanol group with an aromatic ring, suggests potential biological activity, possibly as a precursor to molecules with antitumor, anti-inflammatory, or neuroactive properties. Additionally, the compound could be employed in the creation of more complex polycyclic structures, which are often seen in drug candidates targeting cancer, inflammation, and neurodegenerative diseases.

Moreover, the compound's ability to act as an intermediate in organic reactions positions it as a key building block in the synthesis of bioactive molecules. Research into its chemical reactivity and stability is ongoing, with an emphasis on improving yield and efficiency in synthetic pathways. As such, 2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol has the potential to contribute to the development of new therapeutic agents and chemical entities with desirable biological effects.

References

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