Description
Chemical Specifications
| Property | Value |
|---|---|
| Chemical Name | 3-Cyclohexene-1-carboxylic acid |
| Common Synonym | 3-Cyclohexene carboxylic acid |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.15 g/mol |
| CAS Number | 645-45-4 |
| Purity | ≥ 98% |
| Appearance | White to off-white crystalline solid |
| Melting Point | ~130–133°C |
| Boiling Point | Decomposes before boiling |
| Solubility | Soluble in ethanol, methanol, acetone |
| Functional Groups | Carboxylic acid, cycloalkene |
Chemical Structure and Description
3-Cyclohexene-1-Carboxylic Acid is a six-membered cycloalkene ring with a carboxylic acid group attached to the first carbon adjacent to the double bond. This combination of unsaturation and acidity gives the molecule unique reactivity, allowing it to undergo oxidation, reduction, esterification, and cycloaddition reactions.
Its carboxylic acid moiety allows it to be easily converted into esters, amides, or acyl chlorides, making it an ideal intermediate in the preparation of more complex organic molecules.
Applications
1. Pharmaceutical Intermediates
This compound is widely used in the synthesis of active pharmaceutical ingredients (APIs) and intermediates for anti-inflammatory, analgesic, and cardiovascular drugs. Its structure can mimic bioactive natural molecules, making it valuable in medicinal chemistry.
2. Fine Chemical Synthesis
Due to its stability and reactivity, 3-cyclohexene carboxylic acid is used in the synthesis of flavors, fragrances, and agrochemicals, particularly in reactions that benefit from the controlled reactivity of the carboxylic acid and alkene functionalities.
3. Research and Development
In academic and industrial research, this compound is utilized for mechanistic studies, reaction development, and as a substrate in enantioselective synthesis, especially in organocatalysis and transition-metal catalysis.
Safety and Handling
Although relatively stable, the compound should be handled with care:
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Use gloves and eye protection when handling.
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Store in a cool, dry, and well-ventilated area.
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Avoid exposure to moisture, strong oxidizing agents, and bases.
While not highly toxic, it should be treated as a laboratory-grade chemical, and exposure should be minimized through proper lab practices.
Conclusion
3-Cyclohexene Carboxylic Acid (3-Cyclohexene-1-Carboxylic Acid, 98%) is a versatile and highly pure organic compound used in a variety of chemical applications. Its unique combination of a carboxylic acid group and a partially unsaturated cyclohexane ring makes it an ideal building block in both pharmaceutical synthesis and academic research. With reliable performance, broad compatibility, and high purity, it remains a critical tool in modern synthetic chemistry.
