Cas no 136593-45-8 (5-Acetyl-2,2-difluoro-1,3-benzodioxole)
5-Acetyl-2,2-difluoro-1,3-benzodioxole Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)ethanone
- 1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanone
- 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-ethanone
- 5-Acetyl-2,2-difluoro-1,3-benzodioxole
- Ethanone,1-(2,2-difluoro-1,3-benzodioxol-5-yl)
- 1-(2,2-Difluorobenzodioxol-5-yl)ethanone
- MFCD07777109
- A807101
- SCHEMBL1347343
- 1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)ETHAN-1-ONE
- PS-11337
- Ethanone, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
- 1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)ethan-1-one
- FT-0690590
- DTXSID10650419
- 136593-45-8
- AKOS017342908
-
- MDL: MFCD07777109
- Inchi: 1S/C9H6F2O3/c1-5(12)6-2-3-7-8(4-6)14-9(10,11)13-7/h2-4H,1H3
- InChI Key: BGHPIIBSWJDRLQ-UHFFFAOYSA-N
- SMILES: FC1(OC2C=CC(C(C)=O)=CC=2O1)F
Computed Properties
- Exact Mass: 200.02900
- Monoisotopic Mass: 200.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 254
- 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: 1.4
- Topological Polar Surface Area: 35.5A^2
Experimental Properties
- Density: 1.206
- Boiling Point: 97-99°C 7,5mm
- Flash Point: 65°C
- PSA: 35.53000
- LogP: 2.21070
5-Acetyl-2,2-difluoro-1,3-benzodioxole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A192700-10mg |
5-Acetyl-2,2-difluoro-1,3-benzodioxole |
136593-45-8 | 10mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A192700-50mg |
5-Acetyl-2,2-difluoro-1,3-benzodioxole |
136593-45-8 | 50mg |
$ 115.00 | 2022-06-08 | ||
| TRC | A192700-100mg |
5-Acetyl-2,2-difluoro-1,3-benzodioxole |
136593-45-8 | 100mg |
$ 185.00 | 2022-06-08 | ||
| Apollo Scientific | PC1955-250mg |
5-Acetyl-2,2-difluoro-1,3-benzodioxole |
136593-45-8 | tech | 250mg |
£155.00 | 2025-02-21 | |
| Apollo Scientific | PC1955-1g |
5-Acetyl-2,2-difluoro-1,3-benzodioxole |
136593-45-8 | tech | 1g |
£340.00 | 2025-02-21 | |
| Ambeed | A126190-1g |
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)ethanone |
136593-45-8 | 98% | 1g |
$207.0 | 2024-04-24 | |
| Chemenu | CM500861-1g |
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)ethanone |
136593-45-8 | 98% | 1g |
$216 | 2022-06-13 | |
| abcr | AB153742-250 mg |
5-Acetyl-2,2-difluoro-1,3-benzodioxole, 98%; . |
136593-45-8 | 98% | 250MG |
€218.00 | 2022-09-01 | |
| abcr | AB153742-1 g |
5-Acetyl-2,2-difluoro-1,3-benzodioxole, 98%; . |
136593-45-8 | 98% | 1g |
€431.60 | 2022-09-01 | |
| A2B Chem LLC | AA49210-250mg |
5-Acetyl-2,2-difluoro-1,3-benzodioxole |
136593-45-8 | 98% | 250mg |
$213.00 | 2024-04-20 |
5-Acetyl-2,2-difluoro-1,3-benzodioxole Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
Additional information on 5-Acetyl-2,2-difluoro-1,3-benzodioxole
5-Acetyl-2,2-difluoro-1,3-benzodioxole (CAS No. 136593-45-8): An Overview of a Promising Compound in Pharmaceutical Research
5-Acetyl-2,2-difluoro-1,3-benzodioxole (CAS No. 136593-45-8) is a synthetic organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in pharmaceutical research. This compound is characterized by its acetyl and difluoro substituents, which contribute to its distinct properties and reactivity. In this article, we will delve into the chemical structure, synthesis methods, and potential applications of 5-Acetyl-2,2-difluoro-1,3-benzodioxole, highlighting the latest research findings and its significance in the field of medicinal chemistry.
The chemical structure of 5-Acetyl-2,2-difluoro-1,3-benzodioxole is particularly noteworthy. The presence of the difluoro substituents on the benzodioxole ring imparts unique electronic and steric effects, which can influence the compound's reactivity and biological activity. The acetyl group at the 5-position further enhances the compound's versatility in synthetic transformations and can be a key factor in its pharmacological properties. The combination of these functional groups makes 5-Acetyl-2,2-difluoro-1,3-benzodioxole a valuable building block for the development of novel drugs.
The synthesis of 5-Acetyl-2,2-difluoro-1,3-benzodioxole has been extensively studied in recent years. One common approach involves the reaction of 2,2-difluorobenzodioxole with an acylating agent such as acetic anhydride or acetyl chloride. This method typically proceeds via a nucleophilic substitution mechanism, where the difluorobenzodioxole acts as a nucleophile and attacks the electrophilic acylating agent. The reaction conditions are carefully optimized to ensure high yields and purity of the final product. Other synthetic routes have also been explored, including transition metal-catalyzed reactions and multistep syntheses involving various intermediates.
In terms of its applications, 5-Acetyl-2,2-difluoro-1,3-benzodioxole has shown promise in several areas of pharmaceutical research. One notable application is in the development of antiviral agents. Recent studies have demonstrated that compounds with similar structures exhibit potent antiviral activity against a range of viruses, including influenza and HIV. The presence of the difluorobenzodioxole moiety appears to play a crucial role in enhancing the antiviral potency by interacting with specific viral targets.
Beyond antiviral applications, 5-Acetyl-2,2-difluoro-1,3-benzodioxole has also been investigated for its potential as an anticancer agent. Preclinical studies have shown that this compound can inhibit the growth of various cancer cell lines by targeting key signaling pathways involved in cell proliferation and survival. The acetyl group at the 5-position may contribute to this activity by modulating protein-protein interactions or altering cellular metabolism.
The pharmacokinetic properties of 5-Acetyl-2,2-difluoro-1,3-benzodioxole are another important aspect to consider. Preliminary data suggest that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles. Its lipophilicity and molecular weight are within an optimal range for oral bioavailability and tissue penetration. However, further studies are needed to fully characterize its pharmacokinetics and optimize its formulation for clinical use.
In conclusion, 5-Acetyl-2,2-difluoro-1,3-benzodioxole (CAS No. 136593-45-8) is a promising compound with a unique chemical structure that offers significant potential in pharmaceutical research. Its distinctive features make it a valuable candidate for the development of novel drugs with diverse therapeutic applications. Ongoing research continues to uncover new insights into its properties and mechanisms of action, paving the way for future advancements in medicinal chemistry.
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