2-INDANCARBOXYLIC ACID manufacturers
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| | 2-INDANCARBOXYLIC ACID Basic information |
| | 2-INDANCARBOXYLIC ACID Chemical Properties |
| Melting point | 128-132 °C (lit.) | | Boiling point | 192 °C / 18mmHg | | density | 1.0281 (rough estimate) | | refractive index | 1.6000 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | Crystalline Powder | | pka | 4.65±0.20(Predicted) | | color | White to cream or brown | | InChI | 1S/C10H10O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,11,12) | | InChIKey | XUDCMQBOWOLYCF-UHFFFAOYSA-N | | SMILES | OC(=O)C1Cc2ccccc2C1 | | CAS DataBase Reference | 25177-85-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-INDANCARBOXYLIC ACID Usage And Synthesis |
| Chemical Properties | White powder | | Synthesis | General procedure for the synthesis of 2-indenecarboxylic acid from 2,3-dihydro-1H-indene-2-carbonitrile: A mixture of 2,3-dihydro-1H-indene-2-carbonitrile (128) (55.1 g, 0.385 mol), concentrated hydrochloric acid (100 mL), and dioxane (500 mL) was stirred for 41 hours at 60-70°C. Upon completion of the reaction, the mixture was cooled and the dioxane was removed by evaporation to give a residue. The residue was suspended in 1 M hydrochloric acid (300 mL) and stirred at 20 °C for 15 hours. Subsequently, the solid product was collected by filtration, washed with water and dried to give 2-indenecarboxylic acid (129) (54.1 g, 87% yield) as a white solid. Melting point (EtOAc/petroleum ether recrystallization) 128 °C [literature value (Baeyer, A. Perkin W.H., Chem. Ber. 1884, 17, 122) mp 130.2 °C]; 1H NMR (δ): 10.50 (broad single peak, 1H, COOH), 7.14-7.25 (multiple peaks, 4H, H-4, H-5, H -6, H-7), 3.21-3.43 (multiple peaks, 5H, H-1, H-2, H-3). | | References | [1] Patent: WO2006/104406, 2006, A1. Location in patent: Page/Page column 112
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 21, p. 6853 - 6865 |
| | 2-INDANCARBOXYLIC ACID Preparation Products And Raw materials |
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