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| | 3-Bromoadamantane-1-carboxylic acid Basic information | | Synthesis |
| | 3-Bromoadamantane-1-carboxylic acid Chemical Properties |
| Melting point | 147 °C | | Boiling point | 354.2±25.0 °C(Predicted) | | density | 1.665±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 4.35±0.40(Predicted) | | color | Pale Brown | | InChI | InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14) | | InChIKey | DJUDQBVINJIMFO-UHFFFAOYSA-N | | SMILES | C12(C(O)=O)CC3CC(CC(Br)(C3)C1)C2 | | CAS DataBase Reference | 21816-08-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39-37/39 | | WGK Germany | 3 | | RTECS | AU4452500 | | HazardClass | IRRITANT | | HS Code | 2916200090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| | 3-Bromoadamantane-1-carboxylic acid Usage And Synthesis |
| Synthesis |  Adamantanecarboxylic acid is slowly added to liquid bromine. Under the action of anhydrous aluminum trichloride catalyst, the reaction is first carried out under reflux with stirring at 20℃-10℃ for 48-60 hours, and then the reaction is carried out at 20℃-30℃ for 5 hours to synthesize 3-Bromoadamantane-1-carboxylic acid. | | Uses | 3-Bromo-1-adamantane Carboxylic Acid is used in the synthesis and in bioactivity of novel adamantyl derivatives, as potent MDR reversal agents. | | Purification Methods | Purify the acid by recrystallising it from cyclohexane and/or subliming at 130o/10mm. It is converted to the methyl ester (diazomethane) with m 32o (from pet ether at -10o). [Stetter & Mayer Chem Ber 95 667 1962, Stetter & Wulff Chem Ber 93 1366 1960, Bayal & Lantvoev J Org Chem USSR (Engl Trans) 9 291 1973.] |
| | 3-Bromoadamantane-1-carboxylic acid Preparation Products And Raw materials |
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