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| | 2,2-Difluorobenzodioxole-5-carboxylic acid Basic information |
| Product Name: | 2,2-Difluorobenzodioxole-5-carboxylic acid | | Synonyms: | BUTTPARK 29\01-69;RARECHEM AL BO 0906;2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 97+%;5-Carboxy-2,2-difluoro-1,3-benzodioxole;2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid 98%;2,2-Difluoro-1,3-benzodioxole-5-carboxylicacid98%;2,3-Difluoro-1,3-benzodioxole-5-carboxylic acid;2,2-Difluorobenzodioxole-5-carboxylic acid | | CAS: | 656-46-2 | | MF: | C8H4F2O4 | | MW: | 202.11 | | EINECS: | 613-828-8 | | Product Categories: | Benzodiozoles, Benzodioxines & Benzodioxepines;Carboxylic Acids;Heterocycles series;Benzodiozoles, Benzodioxines & Benzodioxepines;Carboxylic Acids | | Mol File: | 656-46-2.mol |  |
| | 2,2-Difluorobenzodioxole-5-carboxylic acid Chemical Properties |
| Melting point | 178 | | Boiling point | 266.1±40.0 °C(Predicted) | | density | 1.66±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 4.01±0.40(Predicted) | | color | White to Off-White | | CAS DataBase Reference | 656-46-2(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36 | | Hazard Note | Irritant | | HS Code | 2932990090 |
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ALFA
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| | 2,2-Difluorobenzodioxole-5-carboxylic acid Usage And Synthesis |
| Synthesis | The general procedure for the synthesis of 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid from methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate is as follows:
Step 2. A solution of methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate (1.4 g, 6.48 mmol) and sodium hydroxide (830 mg, 20.75 mmol) in methanol (30 ml) was stirred at room temperature overnight. After completion of the reaction, the reaction mixture was concentrated under vacuum and subsequently dissolved in water (20 ml). The pH of the aqueous solution was adjusted to 3 with 3N HCl, at which point a precipitate was produced. The precipitate was collected by filtration to afford 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylic acid as a white solid (1.2 g, 92% yield).
Product characterization data: 1H-NMR (300 MHz, DMSO) δ 13.23 (s, 1H, COOH), 7.85 (s, 1H, Ar-H), 7.53 (d, J=1.5 Hz, 1H, Ar-H), 7.53 (d, J=9.0 Hz, 1H, Ar-H). | | References | [1] Patent: US2012/277224, 2012, A1. Location in patent: Page/Page column 26 |
| | 2,2-Difluorobenzodioxole-5-carboxylic acid Preparation Products And Raw materials |
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