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| | 2-Fluoro-6-iodobenzoic acid Basic information |
| | 2-Fluoro-6-iodobenzoic acid Chemical Properties |
| Melting point | 123-126 °C (lit.) | | Boiling point | 301.6±27.0 °C(Predicted) | | density | 1.9575 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | pka | 1.93±0.10(Predicted) | | form | Powder | | color | Yellow to light brown | | Sensitive | Light Sensitive | | BRN | 4982371 | | InChI | 1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) | | InChIKey | CYCXAPWOBWWNRK-UHFFFAOYSA-N | | SMILES | OC(=O)c1c(F)cccc1I | | CAS DataBase Reference | 111771-08-5(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Fluoro-6-iodobenzoic acid Usage And Synthesis |
| Chemical Properties | yellow to light brown powder | | Uses | 2-Fluoro-6-iodobenzoic acid may be used for the synthesis of fluoro-substituted benzoyl chlorides. It may be used for the one-pot regioselective synthesis of isocoumarins. | | General Description | 2-Fluoro-6-iodobenzoic acid is loose white crystal. It can be synthesized by using 2-amino-6-fluorobenzoic acid as the starting material. | | Synthesis | At -70°C, n-butyllithium (n-BuLi, 120 mL) was slowly added dropwise to an ether (300 mL) solution of diisopropylamine (33.33 g, 330.00 mmol). The resulting solution was stirred continuously at -70 °C for 1 h. Subsequently, a solution of 1-fluoro-3-iodobenzene (22.2 g, 100.00 mmol) in ether (100 mL) was added. After continued stirring at -70 °C for 1 h, carbon dioxide (CO2, gas) was passed into the reaction mixture. The reaction mixture was stirred at -50°C for 1 hour. After the reaction was completed, the reaction mixture was extracted with deionized water (1 x 300 mL). The pH of the aqueous layer was adjusted to 1 by dropwise addition of 4 M hydrochloric acid (HCl), followed by extraction of the aqueous layer with ethyl acetate (EtOAc, 3 × 300 mL). The organic layers were combined, washed with saturated saline (2 × 100 mL), dried over anhydrous sodium sulfate (Na2SO4), and concentrated to dryness under reduced pressure to afford 8 g (33% yield) of 2-fluoro-6-iodobenzoic acid as a yellow solid. | | References | [1] European Journal of Organic Chemistry, 2002, # 19, p. 3351 - 3358
[2] Synthesis, 2005, # 4, p. 617 - 621
[3] Patent: WO2008/103615, 2008, A1. Location in patent: Page/Page column 41 |
| | 2-Fluoro-6-iodobenzoic acid Preparation Products And Raw materials |
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