Cas no 1022154-50-2 (3,3-Difluoro-2,2-dimethylpropanoic acid)
3,3-Difluoro-2,2-dimethylpropanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3,3-difluoro-2,2-dimethylpropanoic acid
- Propanoic acid, 3,3-difluoro-2,2-dimethyl-
- AT13772
- Z1945984126
- 3,3-Difluoro-2,2-dimethylpropanoic acid
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- Inchi: 1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9)
- InChI Key: CJUCPGKPFFVMPL-UHFFFAOYSA-N
- SMILES: FC(C(C(=O)O)(C)C)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 120
- XLogP3: 1.5
- Topological Polar Surface Area: 37.3
3,3-Difluoro-2,2-dimethylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D449083-5mg |
3,3-Difluoro-2,2-dimethylpropanoic Acid |
1022154-50-2 | 5mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D449083-10mg |
3,3-Difluoro-2,2-dimethylpropanoic Acid |
1022154-50-2 | 10mg |
$ 70.00 | 2022-06-05 | ||
| TRC | D449083-50mg |
3,3-Difluoro-2,2-dimethylpropanoic Acid |
1022154-50-2 | 50mg |
$ 295.00 | 2022-06-05 | ||
| Chemenu | CM326814-1g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 1g |
$1544 | 2023-02-03 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FD02354-5g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 5g |
$2300 | 2023-09-07 | |
| Enamine | EN300-172696-0.05g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 0.05g |
$229.0 | 2023-09-20 | |
| Enamine | EN300-172696-0.1g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 0.1g |
$342.0 | 2023-09-20 | |
| Enamine | EN300-172696-0.25g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 0.25g |
$487.0 | 2023-09-20 | |
| Enamine | EN300-172696-0.5g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 0.5g |
$768.0 | 2023-09-20 | |
| Enamine | EN300-172696-1.0g |
3,3-difluoro-2,2-dimethylpropanoic acid |
1022154-50-2 | 95% | 1.0g |
$986.0 | 2023-07-07 |
3,3-Difluoro-2,2-dimethylpropanoic acid Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Additional information on 3,3-Difluoro-2,2-dimethylpropanoic acid
Recent Advances in the Application of 3,3-Difluoro-2,2-dimethylpropanoic Acid (CAS: 1022154-50-2) in Chemical Biology and Pharmaceutical Research
3,3-Difluoro-2,2-dimethylpropanoic acid (CAS: 1022154-50-2) has emerged as a compound of significant interest in chemical biology and pharmaceutical research due to its unique structural properties and potential applications in drug development. Recent studies have explored its utility as a versatile building block for the synthesis of fluorinated analogs of bioactive molecules, leveraging its ability to modulate physicochemical properties such as lipophilicity and metabolic stability. This research brief synthesizes the latest findings on this compound, highlighting its role in medicinal chemistry and therapeutic innovation.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the incorporation of 3,3-difluoro-2,2-dimethylpropanoic acid into protease inhibitor scaffolds, resulting in enhanced binding affinity and selectivity. The fluorinated moiety was shown to participate in critical hydrogen-bonding interactions with target enzymes, while the dimethyl groups contributed to improved steric shielding against metabolic degradation. These findings suggest that this compound could serve as a valuable template for designing next-generation antiviral and anticancer agents.
In the field of radiopharmaceuticals, researchers have utilized 3,3-difluoro-2,2-dimethylpropanoic acid as a precursor for 18F-labeled tracers. A recent Nature Communications paper (2024) detailed its use in positron emission tomography (PET) probe development, where its metabolic stability allowed for prolonged imaging windows and improved signal-to-noise ratios in neurodegenerative disease models. The compound's two fluorine atoms provide unique opportunities for isotopic exchange reactions, making it particularly suitable for radiolabeling applications.
From a synthetic chemistry perspective, novel methodologies have been developed to access enantiomerically pure forms of 3,3-difluoro-2,2-dimethylpropanoic acid. A 2024 Organic Letters publication reported an asymmetric catalytic route using chiral palladium complexes, achieving >99% ee with excellent yields. This advancement addresses previous challenges in stereocontrol and opens new possibilities for creating chiral fluorinated pharmaceuticals with improved pharmacological profiles.
The compound's safety profile has also been systematically evaluated in recent preclinical studies. Toxicology assessments conducted in 2023-2024 indicate favorable pharmacokinetic properties with minimal off-target effects at therapeutic doses. However, researchers note that the high lipophilicity of derivatives may require formulation optimization for certain administration routes, particularly for central nervous system applications where blood-brain barrier penetration is desired.
Looking forward, the unique properties of 3,3-difluoro-2,2-dimethylpropanoic acid position it as a promising candidate for multiple therapeutic areas. Current research directions include its incorporation into PROTAC (proteolysis targeting chimera) designs, where its structural features may enhance ternary complex formation, and its use in developing fluorinated analogs of natural product-derived medicines. The compound's CAS number (1022154-50-2) has seen a marked increase in patent filings over the past two years, particularly in applications related to kinase inhibitors and GPCR modulators.
In conclusion, 3,3-difluoro-2,2-dimethylpropanoic acid represents a valuable chemical tool with growing importance in pharmaceutical research. Its dual fluorine substitution and quaternary carbon center offer distinct advantages for molecular design, while recent synthetic advances have improved its accessibility for medicinal chemistry programs. As research continues to elucidate its full potential, this compound is likely to play an increasingly prominent role in the development of novel therapeutic agents across multiple disease areas.
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