Cas no 6287-86-1 (Ethyl 4-formylbenzoate)
Ethyl 4-formylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4-formylbenzoate
- 4-Formyl-Benzoic Acid Ethyl Ester
- Benzoic acid,4-formyl-, ethyl ester
- [4-ethoxycarbonylphenyl]methanone
- 4-carbethoxybenzaldehyde
- 4-ethoxycarbonyl-benzaldehyde
- AC1L2ZJL
- AC1Q64HU
- ANW-68709
- AR-1I9231
- CTK5B6442
- EINECS 228-523-1
- ethyl 4-formyl-benzoate
- ethyl p-formylbenzoate
- NSC12007
- terephthalaldehydic acid ethylester
- Terephthaldehydic acid ethyl ester
- p-(Ethoxycarbonyl)benzaldehyde
- p-Carbethoxybenzaldehyde
- NSC 12007
- Ethyl-4-formyl benzoate
- Benzoic acid, 4-formyl-, ethyl ester
- BHYVHYPBRYOMGC-UHFFFAOYSA-N
- Ethyl-4-formylbenzoate
- Ehtyl 4-formylbenzoate
- Ethyl 4-formylbenzoate #
- 4-ethoxycarbonylbenzaldehyde
- DTXSID20212042
- doi:10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.2
- CS-0097281
- EN300-331299
- 10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.1
- Ethyl4-formylbenzoate
- 5DS86BZT5W
- AKOS006240956
- NSC-12007
- doi:10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.1
- 10.14272/BHYVHYPBRYOMGC-UHFFFAOYSA-N.2
- DB-021094
- UNII-5DS86BZT5W
- MFCD00460463
- SCHEMBL528212
- NS00035205
- DTXCID20134533
- 6287-86-1
- AS-30254
-
- MDL: MFCD00460463
- Inchi: 1S/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3
- InChI Key: BHYVHYPBRYOMGC-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC(C=O)=CC=1)=O
Computed Properties
- Exact Mass: 178.063
- Monoisotopic Mass: 178.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 181
- 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: 2.3
- Topological Polar Surface Area: 43.4
Experimental Properties
- Density: 1.145±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 157 oC
- Boiling Point: 142-143 oC (13 Torr)
- Flash Point: 128.8±22.7 oC,
- Refractive Index: 1.548
- Solubility: Very slightly soluble (0.59 g/l) (25 o C),
- PSA: 43.37
- LogP: 1.67580
Ethyl 4-formylbenzoate Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Storage Condition:Inert atmosphere,2-8°C(BD218710)
Ethyl 4-formylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 231238-250mg |
Ethyl 4-formylbenzoate |
6287-86-1 | 95% | 250mg |
£57.00 | 2022-02-28 | |
| Fluorochem | 231238-1g |
Ethyl 4-formylbenzoate |
6287-86-1 | 95% | 1g |
£91.00 | 2022-02-28 | |
| Fluorochem | 231238-5g |
Ethyl 4-formylbenzoate |
6287-86-1 | 95% | 5g |
£283.00 | 2022-02-28 | |
| Fluorochem | 231238-10g |
Ethyl 4-formylbenzoate |
6287-86-1 | 95% | 10g |
£462.00 | 2022-02-28 | |
| TRC | E918035-1g |
Ethyl 4-Formylbenzoate |
6287-86-1 | 1g |
$ 150.00 | 2022-06-05 | ||
| TRC | E918035-10g |
Ethyl 4-Formylbenzoate |
6287-86-1 | 10g |
$ 1215.00 | 2022-06-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YT352-250mg |
Ethyl 4-formylbenzoate |
6287-86-1 | 95+% | 250mg |
519CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YT352-5g |
Ethyl 4-formylbenzoate |
6287-86-1 | 95+% | 5g |
2593.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YT352-50mg |
Ethyl 4-formylbenzoate |
6287-86-1 | 95+% | 50mg |
108.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YT352-1g |
Ethyl 4-formylbenzoate |
6287-86-1 | 95+% | 1g |
598.0CNY | 2021-07-10 |
Ethyl 4-formylbenzoate Suppliers
Ethyl 4-formylbenzoate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
Additional information on Ethyl 4-formylbenzoate
Recent Advances in the Application of Ethyl 4-formylbenzoate (CAS: 6287-86-1) in Chemical Biology and Pharmaceutical Research
Ethyl 4-formylbenzoate (CAS: 6287-86-1) is a versatile chemical intermediate widely used in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Recent studies have highlighted its significance as a key building block in the development of novel bioactive compounds. This research brief consolidates the latest findings on the applications, synthetic methodologies, and biological activities associated with Ethyl 4-formylbenzoate, providing insights into its growing role in chemical biology and drug discovery.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers demonstrated the utility of Ethyl 4-formylbenzoate as a precursor for the synthesis of potent kinase inhibitors. The aldehyde functionality of the compound was strategically employed in reductive amination reactions to generate a library of small molecules targeting tyrosine kinases. These inhibitors exhibited nanomolar potency against cancer cell lines, underscoring the compound's value in oncology drug development. The study also emphasized the scalability of the synthetic route, which utilized Ethyl 4-formylbenzoate as a starting material.
Another significant advancement was reported in Organic Letters (2024), where Ethyl 4-formylbenzoate served as a critical intermediate in the synthesis of fluorescent probes for cellular imaging. The researchers developed a series of benzaldehyde-derived probes that selectively bind to mitochondrial membranes, enabling real-time tracking of metabolic processes. The high reactivity of the formyl group in Ethyl 4-formylbenzoate allowed for efficient conjugation with various fluorophores, yielding probes with excellent photostability and low cytotoxicity.
Recent innovations in green chemistry have also explored the use of Ethyl 4-formylbenzoate in sustainable synthetic protocols. A 2024 ACS Sustainable Chemistry & Engineering paper described a microwave-assisted, solvent-free condensation reaction using this compound to produce Schiff bases with antimicrobial properties. The methodology achieved >90% yield while minimizing waste generation, aligning with the principles of green pharmaceutical manufacturing.
In drug delivery applications, Ethyl 4-formylbenzoate has emerged as a valuable linker for antibody-drug conjugates (ADCs). A 2023 Bioconjugate Chemistry study detailed its use in constructing pH-sensitive linkers that release payloads specifically in tumor microenvironments. The structural flexibility of Ethyl 4-formylbenzoate enabled precise control over drug release kinetics, addressing a major challenge in ADC development.
Ongoing research continues to uncover new dimensions of Ethyl 4-formylbenzoate's utility. Current clinical trials (NCT05678984) are investigating derivatives of this compound as potential treatments for neurodegenerative diseases, leveraging its ability to cross the blood-brain barrier. Additionally, computational studies published in Journal of Chemical Information and Modeling (2024) have identified novel binding modes of Ethyl 4-formylbenzoate derivatives with G-protein-coupled receptors, opening new avenues for GPCR-targeted drug design.
These collective advancements position Ethyl 4-formylbenzoate as a molecule of continuing importance in pharmaceutical innovation. Its chemical versatility, coupled with recent methodological improvements in its derivatization, suggests expanding applications in drug discovery, diagnostic tools, and materials science. Future research directions likely include exploration of its enantiopure derivatives for chiral drug synthesis and development of continuous flow processes for its large-scale production.
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