Cas no 131525-50-3 (3,4-Bis(octyloxy)benzaldehyde)
3,4-Bis(octyloxy)benzaldehyde Chemical and Physical Properties
Names and Identifiers
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- 3,4-Bis(octyloxy)benzaldehyde
- 3,4-dioctoxybenzaldehyde
- Benzaldehyde,3,4-bis(octyloxy)-
- 3,4-bisoctyloxy-benzaldehyde
- 3,4-dioctyloxybenzaldehyde
- 3',4'-(DIOCTYLOXY)BENZALDEHYDE
- 3,4-(Dioctyloxy)benzaldehyde, min.
- 3',4'-(Dioctyloxy)benzaldehyde, 99+%
- DTXSID50369290
- 131525-50-3
- A806273
- SCHEMBL2945520
- AKOS015912395
- MFCD00143011
- FT-0643152
-
- MDL: MFCD00143011
- Inchi: 1S/C23H38O3/c1-3-5-7-9-11-13-17-25-22-16-15-21(20-24)19-23(22)26-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3
- InChI Key: ZOKNJOSLKRWLJI-UHFFFAOYSA-N
- SMILES: O(C1C=C(C=O)C=CC=1OCCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 362.28200
- Monoisotopic Mass: 362.282
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 319
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 8.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Color/Form: Not available
- Density: 0.9775 (rough estimate)
- Melting Point: 54-56 °C
- Boiling Point: 454.13°C (rough estimate)
- Flash Point: 232.1°C
- Refractive Index: 1.5480 (estimate)
- PSA: 35.53000
- LogP: 6.97770
- Solubility: Not available
3,4-Bis(octyloxy)benzaldehyde Security Information
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S37-S39
-
Hazardous Material Identification:
- Safety Term:S37/39-26
- Risk Phrases:R36/37/38
3,4-Bis(octyloxy)benzaldehyde Customs Data
- HS CODE:2912499000
- Customs Data:
China Customs Code:
2912499000Overview:
2912499000. Other aldehyde ethers\Aldehydes, phenols and aldehydes containing other oxygen-containing groups. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Appearance of tetraformaldehyde
Summary:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%
3,4-Bis(octyloxy)benzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB147611-5 g |
3',4'-(Dioctyloxy)benzaldehyde, 99%; . |
131525-50-3 | 99% | 5 g |
€439.20 | 2023-07-20 | |
| abcr | AB147611-5g |
3',4'-(Dioctyloxy)benzaldehyde, 99%; . |
131525-50-3 | 99% | 5g |
€439.20 | 2023-09-17 |
3,4-Bis(octyloxy)benzaldehyde Related Literature
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Avneesh Kumar,Wojciech Pisula,Christoph Sieber,Markus Klapper,Klaus Müllen J. Mater. Chem. A 2018 6 6074
Additional information on 3,4-Bis(octyloxy)benzaldehyde
Professional Introduction to 3,4-Bis(octyloxy)benzaldehyde (CAS No. 131525-50-3)
3,4-Bis(octyloxy)benzaldehyde, with the chemical formula C24H40O3 and CAS number 131525-50-3, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of aldehydes and is characterized by its unique structural properties, which make it a valuable intermediate in various chemical syntheses. The presence of two octyloxy groups at the 3rd and 4th positions of the benzaldehyde core enhances its solubility and reactivity, making it particularly useful in the development of fine chemicals and pharmaceuticals.
The structure of 3,4-Bis(octyloxy)benzaldehyde consists of a benzaldehyde ring substituted with two octyl ether groups. This configuration imparts a high degree of lipophilicity, which is advantageous for applications in drug delivery systems and cosmetic formulations. The compound's ability to form stable complexes with other molecules makes it a promising candidate for use in medicinal chemistry and material science.
In recent years, there has been growing interest in 3,4-Bis(octyloxy)benzaldehyde due to its potential applications in the development of novel therapeutic agents. Researchers have been exploring its role as a precursor in synthesizing complex molecules that exhibit bioactivity. For instance, studies have shown that derivatives of this compound can interact with biological targets, leading to the development of new drugs targeting neurological disorders and inflammatory conditions.
One of the most intriguing aspects of 3,4-Bis(octyloxy)benzaldehyde is its versatility in chemical reactions. The aldehyde group can participate in condensation reactions to form Schiff bases, which are known for their wide range of biological activities. Additionally, the octyloxy side chains can undergo various modifications, allowing chemists to tailor the properties of the compound for specific applications. This flexibility has made it a favorite among synthetic chemists working on complex molecular architectures.
The synthesis of 3,4-Bis(octyloxy)benzaldehyde typically involves the reaction of p-dihydroxybenzaldehyde with 1-octanol in the presence of an acid catalyst. This reaction proceeds via an etherification mechanism, where the hydroxyl groups are replaced by octyl groups. The choice of catalyst and reaction conditions can significantly influence the yield and purity of the final product. Advanced techniques such as phase-transfer catalysis and microwave-assisted synthesis have been employed to improve efficiency and reduce reaction times.
In pharmaceutical research, 3,4-Bis(octyloxy)benzaldehyde has shown promise as a building block for drug candidates. Its lipophilic nature makes it an excellent candidate for oral and topical drug formulations. Furthermore, its ability to cross cell membranes suggests potential applications in drug delivery systems designed to enhance bioavailability. Several preclinical studies have demonstrated its efficacy in models of inflammation and pain management.
The applications of this compound extend beyond pharmaceuticals into the realm of materials science. Researchers have explored its use as a monomer in polymer synthesis, where it contributes to the development of high-performance polymers with enhanced thermal stability and mechanical strength. Additionally, its luminescent properties have been investigated for use in organic light-emitting diodes (OLEDs) and other optoelectronic devices.
Recent advancements in computational chemistry have also highlighted the potential of 3,4-Bis(octyloxy)benzaldehyde as a scaffold for drug discovery. Molecular modeling studies have identified its suitability for binding to various biological targets, including enzymes and receptors involved in metabolic pathways. These insights have guided researchers in designing novel derivatives with improved pharmacological profiles.
The future prospects for 3,4-Bis(octyloxy)benzaldehyde are bright, with ongoing research focusing on expanding its applications across multiple industries. As synthetic methodologies continue to evolve, new derivatives and analogs are being developed with enhanced properties tailored for specific uses. The integration of green chemistry principles into its synthesis will also play a crucial role in making production more sustainable and environmentally friendly.
In conclusion, 3,4-Bis(octyloxy)benzaldehyde (CAS No. 131525-50-3) is a versatile and valuable compound with significant potential in pharmaceuticals, materials science, and beyond. Its unique structural features and reactivity make it an indispensable tool for chemists and researchers working on innovative solutions across various scientific disciplines.
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