Cas no 7796-73-8 (3,3-dimethyl-4-pentenoic acid)

3,3-Dimethyl-4-pentenoic acid is a branched-chain unsaturated carboxylic acid with the molecular formula C7H12O2. Its structure features a terminal double bond and a quaternary carbon center, making it a versatile intermediate in organic synthesis. The compound is particularly useful in the preparation of fine chemicals, pharmaceuticals, and specialty polymers due to its reactive alkene functionality and sterically hindered carboxyl group. Its stability under various conditions allows for selective modifications, such as hydrogenation or functionalization, enabling tailored applications in medicinal chemistry and materials science. The product is typically supplied in high purity, ensuring consistent performance in synthetic workflows.
3,3-dimethyl-4-pentenoic acid structure
3,3-dimethyl-4-pentenoic acid structure
Product Name:3,3-dimethyl-4-pentenoic acid
CAS No:7796-73-8
MF:C7H12O2
MW:128.168982505798
CID:535151
PubChem ID:10630499
Update Time:2025-05-24

3,3-dimethyl-4-pentenoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Pentenoic acid, 3,3-dimethyl-
    • 3,3-DIMETHYL-4-PENTENOIC ACID
    • 3,3-dimethylpent-4-enoic acid
    • 2,2-dimethyl-4-pentenoic acid
    • 3,3-Dimethyl-4-pentensaeure
    • 3,3-dimethyl-pent-4-enoic acid
    • 4-Pentenoic acid,3,3-dimethyl
    • methyl 3,3-dimethyl-4-pentenoate
    • 3,3-dimethyl-4-pentenoic acid
    • Inchi: 1S/C7H12O2/c1-4-7(2,3)5-6(8)9/h4H,1,5H2,2-3H3,(H,8,9)
    • InChI Key: FYYOTZLMLLTWAP-UHFFFAOYSA-N
    • SMILES: OC(CC(C=C)(C)C)=O

Computed Properties

  • Exact Mass: 128.08400
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3

Experimental Properties

  • PSA: 37.30000
  • LogP: 1.67330

3,3-dimethyl-4-pentenoic acid Pricemore >>

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3,3-dimethyl-4-pentenoic acid Related Literature

Additional information on 3,3-dimethyl-4-pentenoic acid

Introduction to 3,3-dimethyl-4-pentenoic acid (CAS No. 7796-73-8)

3,3-dimethyl-4-pentenoic acid, identified by the chemical abstracts service number 7796-73-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This molecule, characterized by its unique structural framework, has garnered attention due to its potential applications in synthetic chemistry and biochemical pathways. The compound belongs to the class of α,β-unsaturated carboxylic acids, which are widely recognized for their versatile reactivity and biological significance.

The molecular structure of 3,3-dimethyl-4-pentenoic acid consists of a pentane backbone with a double bond at the fourth carbon and a carboxylic acid group at the terminal position. The presence of two methyl groups at the third carbon introduces steric hindrance, which can influence its reactivity and interaction with biological targets. This structural feature makes it a valuable intermediate in the synthesis of more complex molecules, particularly in the development of novel pharmaceuticals and agrochemicals.

In recent years, 3,3-dimethyl-4-pentenoic acid has been studied for its role in various biochemical processes. One of the most intriguing aspects of this compound is its potential as a precursor in the biosynthesis of terpenoids, which are a large and diverse class of natural products with significant biological activities. Research has shown that derivatives of 3,3-dimethyl-4-pentenoic acid can be incorporated into terpenoid pathways, leading to the production of compounds with antimicrobial, anti-inflammatory, and even anticancer properties.

The pharmacological relevance of 3,3-dimethyl-4-pentenoic acid has been further explored in several cutting-edge studies. For instance, scientists have investigated its interaction with enzymes involved in fatty acid metabolism. The compound’s ability to modulate these enzymes could have implications for treating metabolic disorders such as obesity and diabetes. Additionally, its structural similarity to certain bioactive lipids suggests that it may serve as a scaffold for designing new therapeutic agents targeting lipid-mediated signaling pathways.

Another area where 3,3-dimethyl-4-pentenoic acid has shown promise is in materials science. The unsaturated nature of its structure allows it to participate in polymerization reactions, making it a potential monomer for developing advanced materials with enhanced mechanical and thermal properties. These materials could find applications in industries ranging from aerospace to electronics, where high-performance polymers are essential.

The synthesis of 3,3-dimethyl-4-pentenoic acid itself is an intriguing challenge due to its reactive double bond and the need for precise control over stereochemistry. Modern synthetic methods, including catalytic hydrogenation and cross-coupling reactions, have enabled more efficient and scalable production processes. These advancements have not only improved access to the compound but also opened new avenues for exploring its derivatives.

In conclusion, 3,3-dimethyl-4-pentenoic acid (CAS No. 7796-73-8) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it a valuable tool in organic synthesis, pharmaceutical development, and materials science. As research continues to uncover new aspects of its properties and potential uses, this molecule is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

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