| Identification | Back Directory | [Name]
3,3-Difluorocyclobutanecarboxylic acid | [CAS]
107496-54-8 | [Synonyms]
3,3-Difluoro-cyclobutanec...
3-Difluorocyclobutanecarboxylic acid
3,3-Difluorocyclobutanecarboxylic acid
Cyclobutanecarboxylic acid, 3,3-difluoro-
3,3-Difluorocyclobutanecarboxylic acid 98%
3,3-Difluorocyclobutanecarboxylic Acid(WXFC0148) | [Molecular Formula]
C5H6F2O2 | [MDL Number]
MFCD08705857 | [MOL File]
107496-54-8.mol | [Molecular Weight]
136.1 |
| Chemical Properties | Back Directory | [Melting point ]
51.0 to 55.0 °C | [Boiling point ]
205 °C | [density ]
1.37 | [Fp ]
78 °C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.63±0.40(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9) | [InChIKey]
PLRCVBKYFLWAAT-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)CC(F)(F)C1 |
| Safety Data | Back Directory | [RIDADR ]
UN 3261 8/PG III | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
2916200090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Synthesis Reference(s)]
Synthetic Communications, 35, p. 657, 2005 DOI: 10.1081/SCC-200050350 | [Synthesis]
General procedure for the synthesis of 3,3-difluorocyclobutanecarboxylic acid from benzyl ester of 3,3-difluorocyclobutanecarboxylate: benzyl ester of 3,3-difluorocyclobutanecarboxylic acid (0.84 g, 3.72 mmol) was dissolved in ethanol (40 mL), and about 0.02 g of palladium/activated carbon catalyst was added. The reaction mixture was stirred at room temperature for 12 hours in a hydrogen atmosphere. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad. The filtrate was concentrated and dried under vacuum to afford the target product 3,3-difluorocyclobutanecarboxylic acid (0.46 g, 90% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 3.16-2.55 (m, 5H). | [References]
[1] Patent: WO2013/107405, 2013, A1. Location in patent: Page/Page column 42
[2] Patent: US2015/87600, 2015, A1. Location in patent: Page/Page column
[3] Patent: EP3290418, 2018, A1. Location in patent: Paragraph 0172; 0181
[4] Patent: US9273058, 2016, B2. Location in patent: Page/Page column 337; 338
[5] Patent: WO2007/47625, 2007, A2. Location in patent: Page/Page column 24 |
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