Cas no 3491-63-2 (2-Phenyl-2-pentenal)
2-Phenyl-2-pentenal Chemical and Physical Properties
Names and Identifiers
-
- 2-Phenyl-2-pentenal
- 2-Phenyl-2-pentenal,(E)+(Z)
- 2-phenyl-pent-2-enal
- phenyl pentenal
- 3491-63-2
- Benzeneacetaldehyde, alpha-propylidene-
- AS-76552
- (2E)-2-phenylpent-2-enal
- 2-Phenylpent-2-enal
- SCHEMBL2171577
- 2-Phenyl-2-pentenal, AldrichCPR
- AKOS006229373
- MFCD00051835
- 2-Phenyl-2-pentenal, (E)+(Z)
- YPAJRUMMODCONM-WDZFZDKYSA-N
-
- MDL: MFCD00051835
- Inchi: 1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-9H,2H2,1H3/b11-6-
- InChI Key: YPAJRUMMODCONM-WDZFZDKYSA-N
- SMILES: O=C/C(=C/CC)/C1C=CC=CC=1
- BRN: 1859032
Computed Properties
- Exact Mass: 160.08900
- Monoisotopic Mass: 160.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Grayish yellow liquid
- Density: 1,005 g/cm3
- Boiling Point: 124-126°C 14mm
- Flash Point: >100°C
- Refractive Index: 1.5510
- PSA: 17.07000
- LogP: 2.67890
- Sensitiveness: Air Sensitive
- Solubility: Unable or difficult to mix
2-Phenyl-2-pentenal Security Information
- Hazard Category Code: 36/37/38-50
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- Risk Phrases:R36/38
- Safety Term:S26;S36
2-Phenyl-2-pentenal Customs Data
- HS CODE:2912299000
- Customs Data:
China Customs Code:
2912299000Overview:
2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Appearance of tetraformaldehyde
Summary:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
2-Phenyl-2-pentenal Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | A13635-5g |
2-Phenyl-2-pentenal, (E)+(Z), 90+% |
3491-63-2 | 90+% | 5g |
¥432.00 | 2023-03-13 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | A13635-25g |
2-Phenyl-2-pentenal, (E)+(Z), 90+% |
3491-63-2 | 90+% | 25g |
¥1749.00 | 2023-03-13 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | A13635-100g |
2-Phenyl-2-pentenal, (E)+(Z), 90+% |
3491-63-2 | 90+% | 100g |
¥5786.00 | 2023-03-13 | |
| abcr | AB118521-5 g |
2-Phenyl-2-pentenal, (E)+(Z), 90+%; . |
3491-63-2 | 5g |
€64.50 | 2023-05-10 | ||
| abcr | AB118521-25 g |
2-Phenyl-2-pentenal, (E)+(Z), 90+%; . |
3491-63-2 | 25g |
€151.00 | 2023-05-10 | ||
| TRC | P400155-250mg |
2-Phenyl-2-pentenal |
3491-63-2 | 250mg |
$ 50.00 | 2022-06-03 | ||
| TRC | P400155-500mg |
2-Phenyl-2-pentenal |
3491-63-2 | 500mg |
$ 95.00 | 2022-06-03 | ||
| TRC | P400155-2.5g |
2-Phenyl-2-pentenal |
3491-63-2 | 2.5g |
$ 320.00 | 2022-06-03 | ||
| abcr | AB118521-5g |
2-Phenyl-2-pentenal, (E)+(Z), 90+%; . |
3491-63-2 | 5g |
€66.10 | 2025-02-16 | ||
| abcr | AB118521-25g |
2-Phenyl-2-pentenal, (E)+(Z), 90+%; . |
3491-63-2 | 25g |
€156.00 | 2025-02-16 |
2-Phenyl-2-pentenal Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
Additional information on 2-Phenyl-2-pentenal
Professional Introduction to 2-Phenyl-2-pentenal (CAS No. 3491-63-2)
2-Phenyl-2-pentenal, identified by the Chemical Abstracts Service Number (CAS No.) 3491-63-2, is a significant organic compound that has garnered attention in the field of chemical biology and pharmaceutical research due to its unique structural and functional properties. This aldehyde derivative, featuring a phenyl group and a conjugated system, exhibits a range of applications that span from synthetic chemistry to potential therapeutic uses.
The molecular structure of 2-Phenyl-2-pentenal consists of a phenyl ring attached to an α,β-unsaturated aldehyde moiety, which is characteristic of many bioactive molecules. This configuration allows for diverse chemical interactions, making it a valuable intermediate in organic synthesis. The compound’s ability to participate in Michael additions, aldol reactions, and condensation reactions underscores its utility in constructing more complex molecules.
In recent years, the study of 2-Phenyl-2-pentenal has been influenced by advancements in computational chemistry and molecular modeling. Researchers have leveraged these tools to explore its reactivity and potential applications in drug discovery. For instance, studies have demonstrated its role as a precursor in the synthesis of heterocyclic compounds, which are prevalent in many pharmaceuticals. The conjugated system of 2-Phenyl-2-pentenal not only enhances its reactivity but also contributes to its electronic properties, making it a candidate for applications in materials science.
The pharmacological potential of CAS No. 3491-63-2 has been explored through various experimental approaches. Initial studies have suggested that derivatives of this compound may exhibit properties relevant to neurological and anti-inflammatory pathways. While the compound itself may not be directly therapeutic, its structural framework provides a scaffold for designing molecules with targeted biological activities. This aligns with the broader trend in pharmaceutical research toward rational drug design, where structural features are meticulously tailored to optimize efficacy and minimize side effects.
One of the most intriguing aspects of 2-Phenyl-2-pentenal is its role in biosynthetic pathways. Researchers have identified it as a possible intermediate in the natural production of certain aromatic compounds found in plants. By understanding these biosynthetic routes, scientists can develop more sustainable methods for producing valuable chemicals without relying solely on synthetic pathways. This has implications not only for pharmaceuticals but also for agrochemicals and specialty chemicals.
The synthesis of CAS No 3491-63-2 has been optimized through various methodologies, including catalytic processes that enhance yield and selectivity. Transition metal catalysts, such as palladium and copper complexes, have been particularly effective in facilitating key transformations involving this compound. These advances in synthetic chemistry have made it more feasible to produce 2-Phenyl-2-pentenal on an industrial scale, opening doors for broader applications.
Recent research has also highlighted the importance of stereochemistry in the reactivity of 2-Phenyl-2-pentenal. The presence of stereocenters in its structure can significantly influence its biological activity and interactions with enzymes or receptors. By controlling stereochemistry during synthesis, researchers can fine-tune the properties of derived compounds, leading to more effective therapeutic agents.
The environmental impact of producing and utilizing 3491-63-2 is another area of growing interest. Efforts are underway to develop greener synthetic routes that minimize waste and reduce energy consumption. These initiatives align with global trends toward sustainable chemistry, where environmental considerations are integrated into every stage of chemical development.
In conclusion, 2-Phenyl-2-pentenal (CAS No 3491-63-2) represents a fascinating compound with diverse applications across multiple scientific disciplines. Its unique structural features make it a valuable tool in synthetic chemistry, while its potential biological activities open avenues for further exploration in drug discovery. As research continues to evolve, the applications and understanding of this molecule are likely to expand, reinforcing its importance in both academic and industrial settings.
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