Cas no 1941-12-4 (3-Allylguaiacol)
3-Allylguaiacol Chemical and Physical Properties
Names and Identifiers
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- Phenol,2-methoxy-3-(2-propen-1-yl)-
- Phenyl, 2-methoxy-3-(2-propenyl)-
- Phenol, 2-methoxy-3-(2-propenyl)
- 2-methoxy-3-(2-propenyl)-phenol
- SCHEMBL3739900
- 1941-12-4
- DTXSID70344382
- NS00095801
- Phenol, 2-methoxy(2-propenyl)-
- Phenol, 2-methoxy-3-(2-propenyl)-
- 3-Allyl-2-methoxyphenol #
- HKHVWTUGAJEQNP-UHFFFAOYSA-N
- 3-Allylguaiacol
-
- Inchi: 1S/C10H12O2/c1-3-5-8-6-4-7-9(11)10(8)12-2/h3-4,6-7,11H,1,5H2,2H3
- InChI Key: HKHVWTUGAJEQNP-UHFFFAOYSA-N
- SMILES: O(C)C1C(=CC=CC=1CC=C)O
Computed Properties
- Exact Mass: 164.08376
- Monoisotopic Mass: 164.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 145
- 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: 2.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
3-Allylguaiacol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A416655-5mg |
3-Allylguaiacol |
1941-12-4 | 5mg |
$ 190.00 | 2023-04-19 | ||
| TRC | A416655-25mg |
3-Allylguaiacol |
1941-12-4 | 25mg |
$ 873.00 | 2023-04-19 | ||
| TRC | A416655-50mg |
3-Allylguaiacol |
1941-12-4 | 50mg |
$ 1499.00 | 2023-04-19 | ||
| TRC | A416655-100mg |
3-Allylguaiacol |
1941-12-4 | 100mg |
$ 4500.00 | 2023-09-09 |
3-Allylguaiacol Related Literature
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Avnish Kumar,Bijoy Biswas,Ramandeep Kaur,Reeta Rani,Bhavya B. Krishna,Thallada Bhaskar Sustainable Energy Fuels 2023 7 1942
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Calvin Mukarakate,Michael J. Watson,Jeroen ten Dam,Xavier Baucherel,Sridhar Budhi,Matthew M. Yung,Haoxi Ben,Kristiina Iisa,Robert M. Baldwin,Mark R. Nimlos Green Chem. 2014 16 4891
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Calvin Mukarakate,Xiaodong Zhang,Alexander R. Stanton,David J. Robichaud,Peter N. Ciesielski,Kara Malhotra,Bryon S. Donohoe,Erica Gjersing,Robert J. Evans,David S. Heroux,Ryan Richards,Kristiina Iisa,Mark R. Nimlos Green Chem. 2014 16 1444
Additional information on 3-Allylguaiacol
3-Allylguaiacol (CAS No. 1941-12-4): Chemical Profile and Emerging Applications
3-Allylguaiacol, identified by the chemical compound identifier CAS No. 1941-12-4, is a versatile organic molecule with significant applications in pharmaceutical research, flavor and fragrance industries, and chemical synthesis. This compound, belonging to the phenolic aldehyde family, exhibits a unique structural framework that contributes to its diverse chemical properties and functionalities. The presence of both an allyl group and a guaiacol moiety imparts distinct reactivity, making it a valuable intermediate in various synthetic pathways.
The molecular structure of 3-Allylguaiacol consists of a benzene ring substituted with a hydroxyl group at the 3-position and an allyl group at the 1-position. This configuration allows for multiple reaction sites, enabling its use in a wide range of chemical transformations. The compound is typically characterized by its aromatic nature, which contributes to its stability and resistance to degradation under various conditions. These attributes make it particularly useful in environments where thermal and chemical stability are paramount.
In recent years, 3-Allylguaiacol has garnered attention in the field of pharmaceutical research due to its potential biological activities. Studies have indicated that this compound may possess antioxidant, anti-inflammatory, and antimicrobial properties, which are critical in the development of novel therapeutic agents. The guaiacol moiety is known for its ability to scavenge free radicals, while the allyl group can participate in Michael addition reactions, providing a scaffold for further functionalization.
One of the most compelling aspects of 3-Allylguaiacol is its role as a precursor in the synthesis of more complex molecules. Researchers have leveraged its structural features to develop novel intermediates for drug candidates targeting various diseases. For instance, recent advancements in medicinal chemistry have explored the use of 3-Allylguaiacol derivatives as building blocks for small-molecule inhibitors. These derivatives have shown promise in preclinical studies, particularly in modulating enzyme activity associated with metabolic disorders and cancer.
The flavor and fragrance industry has also recognized the value of 3-Allylguaiacol due to its aromatic profile. The compound contributes a woody, smoky scent that is highly desirable in perfumery and essential oil blends. Its stability under various processing conditions makes it an excellent candidate for use in food additives and cosmetic formulations. Additionally, the compound's ability to undergo catalytic hydrogenation or oxidation reactions allows for further customization of its olfactory properties, catering to specific market demands.
Synthetically, 3-Allylguaiacol serves as a crucial intermediate in organic transformations. Its reactivity towards nucleophiles and electrophiles enables chemists to construct complex molecular architectures with precision. For example, palladium-catalyzed cross-coupling reactions can be employed to introduce additional functional groups at strategic positions within the molecule. Such modifications are essential for tailoring the pharmacological properties of drug candidates or enhancing the sensory characteristics of flavor compounds.
The environmental impact of using 3-Allylguaiacol as a chemical intermediate has also been studied extensively. Research indicates that when handled properly, this compound does not pose significant environmental hazards. Its biodegradability and low toxicity profile make it a favorable choice for industrial applications where sustainability is a key consideration. However, as with any chemical substance, proper handling protocols must be followed to ensure safety during production and disposal.
The future prospects of 3-Allylguaiacol are promising, with ongoing research exploring new synthetic routes and applications. Advances in green chemistry have prompted investigations into more environmentally friendly methods for producing this compound, including biocatalytic processes that minimize waste generation. Additionally, collaborations between academia and industry are driving innovation in drug discovery programs where 3-Allylguaiacol-based molecules play a pivotal role.
In conclusion, CAS No. 1941-12-4, corresponding to 3-Allylguaiacol, is a multifunctional compound with broad utility across multiple industries. Its unique structural features enable diverse applications in pharmaceuticals, flavors and fragrances, and chemical synthesis. As research continues to uncover new possibilities for this molecule, its significance is expected to grow further, solidifying its place as an indispensable tool in modern chemistry.
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