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| | 4-Amino-2-fluorobenzoic acid Basic information |
| | 4-Amino-2-fluorobenzoic acid Chemical Properties |
| Melting point | 210 °C (dec.) | | Boiling point | 336.1±27.0 °C(Predicted) | | density | 1.430±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | form | powder to crystal | | pka | 3.93±0.10(Predicted) | | color | White to Orange to Green | | Major Application | peptide synthesis | | InChI | InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11) | | InChIKey | QHERSCUZBKDVOC-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(N)C=C1F | | CAS DataBase Reference | 446-31-1(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-37/38-41 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2922498590 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 4-Amino-2-fluorobenzoic acid Usage And Synthesis |
| Chemical Properties | mp 216- 216.5°C | | Uses | peptide synthesis | | reaction suitability | reaction type: solution phase peptide synthesis | | Synthesis | 2-Fluoro-4-nitrobenzoic acid (1.0 g, 5.4 mmol) was used as a raw material and dissolved in 20 mL of a solvent mixture of acetic acid and methanol (1:1, v/v). A catalytic amount of palladium carbon (25 mg) was added and the reaction was stirred overnight at room temperature under hydrogen atmosphere. Upon completion of the reaction, the reaction mixture was filtered through diatomaceous earth to remove the catalyst. Subsequently, the solvent was removed by distillation under reduced pressure to afford 4-amino-2-fluorobenzoic acid (0.86 g, 100% yield) as a cream colored solid. | | References | [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 27, p. 6730 - 6739
[2] Patent: WO2004/11460, 2004, A2. Location in patent: Page 57
[3] Patent: WO2010/132615, 2010, A1. Location in patent: Page/Page column 133
[4] Journal of the American Chemical Society, 1944, vol. 66, p. 1631
[5] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 12, p. 2697 - 2706 |
| | 4-Amino-2-fluorobenzoic acid Preparation Products And Raw materials |
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