- (S)-3-Aminobutan-1ol
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- $8.80
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2019-08-09
- CAS:61477-39-2
- Min. Order: 1KG
- Purity: 97%-99%
- Supply Ability: 100kg
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| | (S)-3-Aminobutan-1ol Basic information |
| Product Name: | (S)-3-Aminobutan-1ol | | Synonyms: | (S)-3-Aminobutan-1ol;1-Fmoc-4-(Cbz-amino)piperidine-4-carboxylic acid;(3S)-3-Amino-1-butanol;(+)-(S)-3-aMinopropan-1-ol;(3S)-3-aminobutan-1-ol;1-Butanol, 3-amino-, (3S)-;(S)-3-Amin-1-butanol;(S)-3-Aminobutan-1-ol - [A10771] | | CAS: | 61477-39-2 | | MF: | C4H11NO | | MW: | 89.14 | | EINECS: | | | Product Categories: | | | Mol File: | 61477-39-2.mol |  |
| | (S)-3-Aminobutan-1ol Chemical Properties |
| Boiling point | 168℃ | | density | 0.927 | | Fp | 56℃ | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | solubility | DMSO (Slightly), Ethanol (Sparingly). Methanol (Slightly) | | form | Oil | | pka | 15.00±0.10(Predicted) | | color | Colourless to Light Yellow | | Optical Rotation | Consistent with structure | | InChI | 1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1 | | InChIKey | AGMZSYQMSHMXLT-BYPYZUCNSA-N | | SMILES | C[C@H](N)CCO |
| RIDADR | 2735 | | WGK Germany | WGK 3 | | HazardClass | 8 | | PackingGroup | Ⅲ | | Storage Class | 11 - Combustible Solids |
| | (S)-3-Aminobutan-1ol Usage And Synthesis |
| Chemical Properties | Colorless liquid | | Uses | (S)-3-Aminobutan-1-ol can be used as an intermediate in the preparation of compounds having HIV integrase inhibitory activity. | | Synthesis | General procedure for the synthesis of (S)-3-aminobutanol from (S)-benzyl(4-hydroxybutan-2-yl)carbamate: To a 1000 mL round bottom flask was added a solution of (S)-benzyl(4-hydroxybutan-2-yl)carbamate (30 g, 134.4 mmol, 1.00 eq.) in methanol (500 mL), followed by the addition of palladium carbon (3 g, 0.10 equivalent). The reaction mixture was stirred at 25 °C for 12 h under hydrogen atmosphere. Upon completion of the reaction, the solid catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to afford 11.7 g (92% yield) of (S)-3-aminobutan-1-ol as a colorless oil. The product was confirmed by 1H NMR (300 MHz, DMSO-d6, ppm): δ 4.48 (3H, s), 3.47 (2H, s), 2.96 (1H, s), 1.47-1.41 (2H, q), 1.02-0.99 (3H, d); the LCMS (ESI) analysis showed a m/z of 90 [M + H]+; the specific spectroscopy measurement value of [α]D22 +11.65° (c = 1.22 g/100 mL in EtOH) is consistent with the literature value of [α]D20 +16.3° (c = 4.5 in EtOH) (J. Org. Chem. 1996, 61, 2293-2304). | | References | [1] Patent: WO2014/9447, 2014, A1. Location in patent: Page/Page column 96; 97
[2] Patent: WO2014/202741, 2014, A1. Location in patent: Page/Page column 42; 43
[3] Patent: US2015/197529, 2015, A1. Location in patent: Paragraph 1201; 1204
[4] Patent: US2016/168141, 2016, A1. Location in patent: Paragraph 1210; 1213
[5] Patent: WO2016/96936, 2016, A1. Location in patent: Page/Page column 43 |
| | (S)-3-Aminobutan-1ol Preparation Products And Raw materials |
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