Cas no 1249125-39-0 (2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid)
2,2-Difluoro-2-(3-hydroxythiolan-3-yl)acetic acid is a fluorinated thiolane derivative featuring both hydroxyl and carboxylic acid functional groups. Its unique structure, combining a difluoroacetate moiety with a thiolane ring, makes it a valuable intermediate in organic synthesis, particularly for introducing fluorine-containing motifs into target molecules. The presence of the hydroxyl group enhances its reactivity, enabling further functionalization, while the thiolane ring contributes to stereochemical control in synthetic applications. This compound is of interest in medicinal chemistry and materials science due to its potential as a building block for bioactive molecules or functional materials. Its balanced polarity allows for versatile solubility in both organic and aqueous systems, facilitating diverse reaction conditions.
1249125-39-0 structure
Product Name:2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid
CAS No:1249125-39-0
MF:C6H8F2O3S
MW:198.187727928162
CID:6007482
PubChem ID:62397453
Update Time:2025-11-02
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid
- EN300-1599444
- 1249125-39-0
- AKOS011684967
-
- Inchi: 1S/C6H8F2O3S/c7-6(8,4(9)10)5(11)1-2-12-3-5/h11H,1-3H2,(H,9,10)
- InChI Key: VBNMCLBTVQRADX-UHFFFAOYSA-N
- SMILES: S1CCC(C(C(=O)O)(F)F)(C1)O
Computed Properties
- Exact Mass: 198.01622161g/mol
- Monoisotopic Mass: 198.01622161g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 209
- 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
- Topological Polar Surface Area: 82.8?2
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1599444-0.05g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 0.05g |
$1091.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-0.1g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 0.1g |
$1144.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-0.25g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 0.25g |
$1196.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-0.5g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 0.5g |
$1247.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-1.0g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 1g |
$1299.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-2.5g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 2.5g |
$2548.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-5.0g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 5g |
$3770.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-10.0g |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 10g |
$5590.0 | 2023-06-04 | ||
| Enamine | EN300-1599444-50mg |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 50mg |
$888.0 | 2023-09-23 | ||
| Enamine | EN300-1599444-100mg |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid |
1249125-39-0 | 100mg |
$930.0 | 2023-09-23 |
2,2-difluoro-2-(3-hydroxythiolan-3-yl)acetic acid Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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