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| | 4-BOC-2-MORPHOLINECARBOXYLIC ACID Basic information |
| | 4-BOC-2-MORPHOLINECARBOXYLIC ACID Chemical Properties |
| Melting point | >139oC (dec.) | | Boiling point | 369.5±42.0 °C(Predicted) | | density | 1.230±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,2-8°C | | solubility | DMSO (Slightly), Ethyl Acetate (Slightly, Heated) | | form | Solid | | pka | 3.25±0.20(Predicted) | | color | Off-White to Pale Beige | | InChI | InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13) | | InChIKey | LGWMTRPJZFEWCX-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCOC(C(O)=O)C1 |
| Hazard Codes | Xi | | Risk Statements | 36-51 | | Safety Statements | 26 | | HS Code | 29334900 |
| | 4-BOC-2-MORPHOLINECARBOXYLIC ACID Usage And Synthesis |
| Chemical Properties | 4-BOC-2-MORPHOLINECARBOXYLIC ACID is white to off-white powder | | Uses | 4-(1,1-Dimethylethyl) Ester 2,4-Morpholinedicarboxylic Acid is used in the preparation of potent and selective 3-phosphoinositide-dependent kinase 1 (PDK 1) inhibitors used in the treatment of multiple myelomas. | | Uses | 4-BOC-2-MORPHOLINECARBOXYLIC ACID is used in the preparation of potent and selective 3-phosphoinositide-dependent kinase 1 (PDK 1) inhibitors used in the treatment of multipl e myelomas. | | Synthesis | Methyl 4-(tert-butoxycarbonyl)morpholine-2-carboxylate (251 mg, 1.02 mmol) was used as a raw material and dissolved in methanol (15 mL). To this solution was added 1 mol/L aqueous potassium hydroxide solution (3 mL). The reaction mixture was stirred at room temperature for 8 hours. Upon completion of the reaction, water was added to the mixture and the pH was adjusted with 5% aqueous citric acid solution. subsequently, the reaction mixture was extracted with ethyl acetate. The organic phase was washed with saturated brine and dried with anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure to give 219 mg (93% yield) of the target product 4-Boc-2-morpholinecarboxylic acid as a colorless powder. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ1.40 (9H, s), 2.70 (1H, dd, J=41.6,15.3 Hz), 3.03-3.09 (1H, m), 3.43-3.54 (2H, m), 3.78 (1H, m), 3.85 (1H, dt, J=11.6,3.7 Hz), 4.04 (1H, dd, J=8.6,3.7Hz), 12.73 (1H, brs). | | References | [1] Patent: EP1780210, 2007, A1. Location in patent: Page/Page column 58 |
| | 4-BOC-2-MORPHOLINECARBOXYLIC ACID Preparation Products And Raw materials |
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