| Identification | More | [Name]
N-Boc-piperidine-3-methanol | [CAS]
116574-71-1 | [Synonyms]
1-BOC-3-(HYDROXYMETHYL)PIPERIDINE
3-HYDROXYMETHYL-1-N-BOC-PIPERIDINE
3-HYDROXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(S)-N-BOC-PIPERIDINE METHANOL
(+/-)-BOC-3-PIPERIDINE METHANOL
N-BOC-3-HYDROXYMETHYLPIPERIDINE
(+/-)-N-BOC-3-PIPERIDINE METHANOL
N-BOC-3-PIPERIDINYL-METHANOL
N-BOC-(3S)-PIP(3-CH2OH)
N-Boc-piperidine-3-methanol
N-(TERT-BUTOXYCARBONYL)-3-PIPERIDINEMETHANOL
(S)-1-BOC-3-(HYDROXYMETHYL)PIPERIDINE
(S)-1-N-BOC-3-HYDROXYMETHYL-PIPERIDINE
(S)-3-HYDROXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(S)-N-(TERT-BUTOXYCARBONYL)-3-HYDROXYMETHYLPIPERIDINE
(S)-TERT-BUTYL 3-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE
(S)-TERT-BUTYL 3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
TERT-BUTYL 3-(HYDROXYMETHYL)PIPERIDINE-1-CARBOXYLATE
TERT-BUTYL 3-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
1-N-Boc-3-(hydroxymethyl)piperidine | [EINECS(EC#)]
1308068-626-2 | [Molecular Formula]
C11H21NO3 | [MDL Number]
MFCD02683203 | [Molecular Weight]
215.29 | [MOL File]
116574-71-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
77-81 °C | [Boiling point ]
308.0±15.0 °C(Predicted) | [density ]
1.059±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Soluble in methanol and dimethylformamide(DMF). | [form ]
powder to crystal | [pka]
14.93±0.10(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h9,13H,4-8H2,1-3H3 | [InChIKey]
OJCLHERKFHHUTB-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCCC(CO)C1 | [CAS DataBase Reference]
116574-71-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
Reactant for synthesis of:• ;Pim-1 inhibitors1• ;Vasopressin1b receptor antagonists2• ;CXCR4 antagonists as anti-HIV agents3• ;Amide CCR5 antagonist4• ;PSSRI-based inhibitors of S. aureus multidrug efflux pumps5• ;Human GnRH receptor antagonists6 | [Synthesis]
(1) Preparation of 3-(hydroxymethyl)-1-(tert-butoxycarbonyl)piperidine: To a solution of 3-hydroxymethylpiperidine (1.15 g, 10 mmol) in tetrahydrofuran (15 ml) was added triethylamine (2.8 ml, 20 mmol) at room temperature. Subsequently, a solution of di-tert-butyl dicarbonate (2.62 g, 10 mmol) in tetrahydrofuran (5 ml) was added slowly and dropwise with stirring. The reaction mixture was stirred continuously for 20 hours at room temperature. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in ethyl acetate (50 ml), and the organic phase was washed sequentially with water and saturated saline, and then dried with anhydrous sodium sulfate. Finally, the solvent was removed by reduced pressure distillation to afford the target product tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate (2.15 g, 100% yield) as colorless crystals. The product was confirmed by 1H-NMR (CDCl3) and IR (KBr) characterization.1H-NMR (CDCl3) δ: 1.2-1.4 (2H, m), 1.46 (9H, s), 1.5-1.9 (4H, m), 2.8-3.3 (2H, m), 3.51 (2H, t, J = 6.10 Hz), 3.6-3.9 (2H, m) IR (KBr) cm-1: 3491, 1742, 1674, 1428, 1269, 1177, 1153, 858, 769. | [References]
[1] Patent: US6348468, 2002, B1. Location in patent: Page column 49
[2] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 4, p. 1084 - 1088
[3] Patent: US2004/67935, 2004, A1. Location in patent: Page/Page column 28
[4] Patent: US2002/65265, 2002, A1
[5] Patent: WO2004/72086, 2004, A2. Location in patent: Page 170 |
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