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| | N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97 Basic information |
| Product Name: | N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97 | | Synonyms: | 1,1-Dimethylethyl (2-hydroxy-1,1-dimethylethyl)carbamate, 2-Hydroxy-1,1-dimethylethyl)carbamic acid 1,1-dimethylethyl ester, (2-Hydroxy-1,1-dimethylethyl)carbamic acid tert-butyl ester;N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97;N-Boc-2-aMino-2-Methyl-1-propanol 97%;Carbamic acid,N-(2-hydroxy-1,1-dimethylethyl)-, 1,1-dimethylethyl ester;tert-Butyl (1-hydroxy-2-Methylpropan-2-yl)carbaMate;N-Boc-2-aMino-2-Methylpropan-1-ol;tert-Butyl N-(2-hydroxy-1,1-dimethylethyl)carbamate;tert-Butyl (1-hydroxy-2-methylpropan-2-yl) | | CAS: | 102520-97-8 | | MF: | C9H19NO3 | | MW: | 189.25 | | EINECS: | | | Product Categories: | | | Mol File: | 102520-97-8.mol |  |
| | N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97 Chemical Properties |
| Melting point | 57-62 °C | | Boiling point | 286.5±23.0 °C(Predicted) | | density | 1.012±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 12.24±0.46(Predicted) | | color | White to Almost white | | InChI | 1S/C9H19NO3/c1-8(2,3)13-7(12)10-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12) | | InChIKey | SBWYTQQSTIUXOP-UHFFFAOYSA-N | | SMILES | CC(C)(C)OC(=O)NC(C)(C)CO |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 2 | | HS Code | 2924297099 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97 Usage And Synthesis |
| Uses | tert-Butyl (1-Hydroxy-2-methylpropan-2-yl)carbamate is used in preparation of diamine derivatives as KCa3.1 potassium channel inhibitors. | | Synthesis | General procedure for the synthesis of 2-(Boc-amino)-2-methyl-1-propanol from di-tert-butyl dicarbonate and 2-amino-2-methyl-1-propanol: 230.4 mL of di-tert-butyl dicarbonate (1.00 mol) was added slowly and dropwise to a solution of di-tert-butyl dicarbonate (1.00 mol) at room temperature containing 98.05 g of 2-amino-2-methyl-1-propanol (1.10 mol) and 154 mL of triethylamine ( 1.10 mol) in a solution of dichloromethane (500 mL), and the titration process was continued for 20 minutes. The reaction mixture was continued to be stirred at room temperature for 2.5 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure and the residue was diluted with 10% aqueous citric acid solution and subsequently extracted with ethyl acetate. The organic layers were combined, washed sequentially with water and saturated brine and dried over anhydrous magnesium sulfate. The desiccant was removed by filtration and the solvent was evaporated under reduced pressure to give 189.25 g of the crude product 2-(Boc-amino)-2-methyl-1-propanol in quantitative yield. The product was a colorless solid.1H NMR (CDCl3, 400 MHz) δ: 4.64 (br s, 1H), 4.01 (br s, 1H), 3.59 (d, 2H, J = 6.3 Hz), 1.43 (s, 9H), 1.25 (s, 6H). | | References | [1] Journal of Organic Chemistry, 2000, vol. 65, # 20, p. 6368 - 6380
[2] Patent: EP2036896, 2009, A1. Location in patent: Page/Page column 149
[3] Journal of Organic Chemistry, 2005, vol. 70, # 4, p. 1188 - 1197
[4] Journal of Chemical Research, 2013, vol. 37, # 12, p. 757 - 760
[5] Patent: US6140326, 2000, A |
| | N-BOC-2-AMINO-2-METHYL-1-PROPANOL 97 Preparation Products And Raw materials |
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