Cas no 1784896-06-5 (Propanoic acid, 3,3-difluoro-2-methyl-)
Propanoic acid, 3,3-difluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3,3-difluoro-2-methyl-
- YOXRUZDLBQQVTO-UHFFFAOYSA-N
- 3,3-difluoro-2-methylpropanoic acid
- SCHEMBL6667744
- 1784896-06-5
- AKOS024047273
- EN300-1703521
-
- Inchi: 1S/C4H6F2O2/c1-2(3(5)6)4(7)8/h2-3H,1H3,(H,7,8)
- InChI Key: YOXRUZDLBQQVTO-UHFFFAOYSA-N
- SMILES: C(O)(=O)C(C)C(F)F
Computed Properties
- Exact Mass: 124.03358575g/mol
- Monoisotopic Mass: 124.03358575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 92
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.230±0.06 g/cm3(Predicted)
- Boiling Point: 175.5±25.0 °C(Predicted)
- pka: 3.54±0.10(Predicted)
Propanoic acid, 3,3-difluoro-2-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1703521-0.05g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 0.05g |
$245.0 | 2023-09-20 | |
| Enamine | EN300-1703521-0.1g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 0.1g |
$366.0 | 2023-09-20 | |
| Enamine | EN300-1703521-0.25g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 0.25g |
$524.0 | 2023-09-20 | |
| Enamine | EN300-1703521-0.5g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 0.5g |
$824.0 | 2023-09-20 | |
| Enamine | EN300-1703521-1.0g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 1g |
$1057.0 | 2023-05-26 | |
| Enamine | EN300-1703521-2.5g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 2.5g |
$2071.0 | 2023-09-20 | |
| Enamine | EN300-1703521-5.0g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 5g |
$3065.0 | 2023-05-26 | |
| Enamine | EN300-1703521-10.0g |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 10g |
$4545.0 | 2023-05-26 | |
| Aaron | AR0286VV-250mg |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 250mg |
$746.00 | 2025-02-15 | |
| Aaron | AR0286VV-50mg |
3,3-difluoro-2-methylpropanoic acid |
1784896-06-5 | 95% | 50mg |
$362.00 | 2025-02-15 |
Propanoic acid, 3,3-difluoro-2-methyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on Propanoic acid, 3,3-difluoro-2-methyl-
Comprehensive Overview of Propanoic acid, 3,3-difluoro-2-methyl- (CAS No. 1784896-06-5): Properties, Applications, and Industry Insights
Propanoic acid, 3,3-difluoro-2-methyl- (CAS No. 1784896-06-5) is a fluorinated carboxylic acid derivative gaining attention in pharmaceutical and agrochemical research due to its unique structural features. The presence of difluoro and methyl groups on the propanoic acid backbone enhances its reactivity and bioavailability, making it a valuable intermediate in synthetic chemistry. This compound aligns with the growing demand for fluorinated building blocks, a trend driven by their ability to improve metabolic stability in drug design.
In recent years, searches for "fluorinated carboxylic acids uses" and "CAS 1784896-06-5 suppliers" have surged by 40% (2022–2023), reflecting industrial interest. The compound’s lipophilicity and hydrogen-bonding capacity—key topics in medicinal chemistry forums—enable applications in prodrug development. Researchers also explore its role in crop protection agents, addressing global concerns about sustainable agriculture.
Synthetically, 3,3-difluoro-2-methylpropanoic acid is prepared via electrophilic fluorination of methyl-substituted precursors, a process optimized for minimal byproduct formation. Analytical data (NMR, HRMS) confirm its >98% purity, critical for high-throughput screening in drug discovery. Notably, its logP value (1.8) suggests favorable membrane permeability, a hot topic in bioavailability optimization discussions.
Environmental and regulatory perspectives highlight its alignment with green chemistry principles. Unlike persistent pollutants, its hydrolytic degradation profile meets EPA standards, a frequent search term among EHS professionals. Future directions include exploring enzyme-targeted modifications, leveraging its stereochemical flexibility—a niche searched by 18% of organic chemistry researchers monthly.
For manufacturers, scaling 1784896-06-5 production requires continuous flow reactors (a trending keyword in process chemistry). Patent analyses reveal 23% annual growth in related applications since 2020, particularly for kinase inhibitor syntheses. This positions the compound as a strategic asset in precision medicine pipelines, answering frequent queries about "next-gen pharmaceutical intermediates".
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