| Identification | More | [Name]
(S)-3-Amino-1-N-Boc-piperidine | [CAS]
625471-18-3 | [Synonyms]
1-PIPERIDINECARBOXYLIC ACID, 3-AMINO-, 1,1-DIMETHYLETHYL ESTER, (3S)-
(S)-1-BOC-3-AMINOPIPERIDINE
(S)-1-BOC-3-AMINOPIPERIDINE HYDROCHLORIDE
(S)-1-BOC-3-AMNIOPIPERIDINE
(S)-1-BOC-3-PIPERIDINAMINE
(S)-3-AMINO-1-BOC-PIPERIDINE
(S)-3-AMINO-1-BOC-PIPERIDINE HYDROCHLORIDE
(S)-3-AMINO-1-N-BOC-PIPERIDINE
(S)-3-AMINO-N-TBOC-PIPERIDINE
(S)-3-AMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(S)-N-BOC-3-AMINOPIPERIDINE
(S)-TERT-BUTYL 3-AMINOPIPERIDINE-1-CARBOXYLATE
(S)-TERT-BUTYL 3-AMINOPIPERIDINE-CARBOXYLATE
TERT-BUTYL (S)-3-AMINO-1-PIPERIDINECARBOXYLATE
(S)-(-)-1-N-Boc-3-aminopiperidine
1-Piperidinecarboxylicacid,3-amino-,1,1-dimethylethylester,(3S)-(9CI)
tert-Butyl (3S)-3-aminopiperidine-1-carboxylate
tert-butyl 3-aminopiperidine-1-carboxylate (as citrate salt)
(S)-3-Aminopiperidine, N1-BOC protected
(S)-1-Boc-3-piperidinamine, tert-Butyl (S)-3-amino-1-piperidinecarboxylate | [EINECS(EC#)]
613-056-1 | [Molecular Formula]
C10H20N2O2 | [MDL Number]
MFCD03094718 | [Molecular Weight]
200.28 | [MOL File]
625471-18-3.mol |
| Chemical Properties | Back Directory | [alpha ]
-28.5 º (c=1, DMF) | [Boiling point ]
277.3±33.0 °C(Predicted) | [density ]
1.02 | [refractive index ]
1.4690-1.4730 | [Fp ]
122℃ | [storage temp. ]
Store under inert gas | [solubility ]
Soluble in dimethylsulfoxide. | [form ]
Gum or Semi-Solid | [pka]
10.35±0.20(Predicted) | [color ]
Colorless to yellow | [Optical Rotation]
[α]/D +32.0±3°, c = 1 in DMF | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1 | [InChIKey]
AKQXKEBCONUWCL-QMMMGPOBSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCC[C@H](N)C1 | [CAS DataBase Reference]
625471-18-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
2735 | [WGK Germany ]
3
| [F ]
10-34 | [HazardClass ]
8 | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow liquid | [Uses]
(S)-(+)-3-Amino-1-Boc-piperidine is used to prepare selective noncovalent inhibitors of the bacterial cysteine protease IdeS. The product obtained by the reductive elimination reaction with ethylglyoxalte is used as a reference compound, which is used to determine the absolute configuration of the two enantiomers. | [Synthesis]
General procedure for the synthesis of (S)-1-Boc-3-aminopiperidine from the compound (CAS:1271240-70-0): the azido derivative 42a (6.77 g, 29.9 mmol) was mixed with Pd/C catalyst (150 mg) in ethanol (200 mL) and subjected to a hydrogenation reaction at atmospheric pressure overnight. Upon completion of the reaction, the catalyst was removed by diatomaceous earth filtration followed by evaporation of the solvent. The product 43a was obtained as a colorless liquid in 90% yield (5.39 g, 26.9 mmol) without further purification. The 1H NMR, 13C NMR and IR spectral data of the product were in agreement with those reported in the literature30 . High-resolution mass spectrometry (HRMS, ESI) analysis showed a calculated and measured value of 201.1598 for C10H21O2N2 ([M + H]+); the specific spin [α]D20 was +26.0 (c 0.308, EtOH). | [References]
[1] Tetrahedron, 2011, vol. 67, # 7, p. 1485 - 1500
[2] Patent: WO2005/305, 2005, A1. Location in patent: Page 60
[3] Patent: WO2005/20976, 2005, A2. Location in patent: Page/Page column 239
[4] Patent: WO2005/60949, 2005, A2. Location in patent: Page/Page column 238 |
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