Cas no 879362-29-5 (2-(difluoromethoxy)-3-ethoxybenzaldehyde)
2-(difluoromethoxy)-3-ethoxybenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 2-(difluoromethoxy)-3-ethoxybenzaldehyde
- Benzaldehyde, 2-(difluoromethoxy)-3-ethoxy-
- Z55671944
- SCHEMBL18124583
- EN300-10757
- G53963
- 983-422-6
- CS-0231252
- 879362-29-5
- AKOS000111468
- BJGGCFDPFCYQAZ-UHFFFAOYSA-N
-
- Inchi: 1S/C10H10F2O3/c1-2-14-8-5-3-4-7(6-13)9(8)15-10(11)12/h3-6,10H,2H2,1H3
- InChI Key: BJGGCFDPFCYQAZ-UHFFFAOYSA-N
- SMILES: C(=O)C1=CC=CC(OCC)=C1OC(F)F
Computed Properties
- Exact Mass: 216.05980050Da
- Monoisotopic Mass: 216.05980050Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 199
- 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: 35.5?2
2-(difluoromethoxy)-3-ethoxybenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D591670-50mg |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D591670-100mg |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 100mg |
$ 95.00 | 2022-06-05 | ||
| TRC | D591670-500mg |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 500mg |
$ 320.00 | 2022-06-05 | ||
| Enamine | EN300-10757-0.05g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 0.05g |
$101.0 | 2023-10-28 | |
| Enamine | EN300-10757-0.1g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 0.1g |
$152.0 | 2023-10-28 | |
| Enamine | EN300-10757-0.25g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 0.25g |
$216.0 | 2023-10-28 | |
| Enamine | EN300-10757-0.5g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 0.5g |
$407.0 | 2023-10-28 | |
| Enamine | EN300-10757-1.0g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 1g |
$528.0 | 2023-05-01 | |
| Enamine | EN300-10757-2.5g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 2.5g |
$1034.0 | 2023-10-28 | |
| Enamine | EN300-10757-5.0g |
2-(difluoromethoxy)-3-ethoxybenzaldehyde |
879362-29-5 | 93% | 5g |
$1530.0 | 2023-05-01 |
2-(difluoromethoxy)-3-ethoxybenzaldehyde Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
Additional information on 2-(difluoromethoxy)-3-ethoxybenzaldehyde
Professional Introduction to Compound with CAS No. 879362-29-5 and Product Name: 2-(difluoromethoxy)-3-ethoxybenzaldehyde
The compound identified by the CAS number 879362-29-5 and the product name 2-(difluoromethoxy)-3-ethoxybenzaldehyde represents a significant advancement in the field of pharmaceutical chemistry. This aromatic aldehyde derivative has garnered considerable attention due to its unique structural features and promising biological activities. The presence of both difluoromethoxy and ethoxy substituents on the benzene ring imparts distinct electronic and steric properties, making it a valuable scaffold for drug discovery and development.
Recent research in medicinal chemistry has highlighted the importance of fluorinated aromatic compounds in enhancing pharmacological properties such as bioavailability, metabolic stability, and binding affinity. The difluoromethoxy group, in particular, has been extensively studied for its ability to modulate enzyme interactions and improve drug-like characteristics. In contrast, the ethoxy group contributes to lipophilicity and can influence the compound's solubility profile, which is crucial for formulation development.
One of the most compelling aspects of 2-(difluoromethoxy)-3-ethoxybenzaldehyde is its potential as a precursor in synthesizing novel therapeutic agents. The aldehyde functionality provides a reactive site for further derivatization, allowing chemists to explore a wide range of structural modifications. This flexibility has been exploited in the design of compounds targeting various disease pathways, including inflammation, cancer, and neurological disorders.
Current studies have demonstrated that derivatives of this compound exhibit notable inhibitory effects on certain enzymes implicated in disease progression. For instance, preliminary in vitro assays suggest that modifications at the benzaldehyde core can yield potent inhibitors of cytochrome P450 enzymes, which play a critical role in drug metabolism. Such findings are particularly relevant in the context of developing drugs with improved pharmacokinetic profiles.
The incorporation of fluorine atoms into organic molecules is well-documented for its ability to enhance binding interactions with biological targets. The electron-withdrawing nature of fluorine atoms can strengthen hydrogen bonds and van der Waals forces, leading to increased affinity between a drug molecule and its receptor. In the case of 2-(difluoromethoxy)-3-ethoxybenzaldehyde, this effect may contribute to its observed biological activity across multiple assays.
Moreover, the ethoxy group at the 3-position introduces an additional layer of functional diversity. Ethoxy-substituted aromatic compounds are known to exhibit diverse biological activities, ranging from antimicrobial properties to anti-inflammatory effects. The combination of these two substituents on a benzaldehyde scaffold creates a molecule with multifaceted potential applications in medicinal chemistry.
In conclusion, 2-(difluoromethoxy)-3-ethoxybenzaldehyde (CAS No. 879362-29-5) represents a promising candidate for further exploration in drug discovery. Its unique structural features and demonstrated biological activity make it an attractive starting point for developing novel therapeutic agents. As research continues to uncover new applications for fluorinated aromatic compounds, this compound is poised to play a significant role in addressing unmet medical needs.
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