| Identification | More | [Name]
(R)-(-)-1-Benzyl-3-hydroxypiperidine | [CAS]
91599-81-4 | [Synonyms]
3-PIPERIDINOL, 1-(PHENYLMETHYL)-, (3R)-
(R)-(-)-1-BENZYL-3-HYDROXYPIPERIDINE
(R)-1-BENZYL-3-HYDROXYPIPERIDINE
(R)-1-BENZYL-3-PIPERIDINOL
(R)-1-BENZYL-PIPERIDIN-3-OL
(R)-1-N-BENZYL-3-HYDROXY-PIPERIDINE
(R)-N-BENZYL-3-HYDROXYPIPERIDINE
(R)-(-)-1-BENZYL-3-HYDROXYPIPERIDINE, 97 % | [Molecular Formula]
C12H17NO | [MDL Number]
MFCD00274307 | [Molecular Weight]
191.27 | [MOL File]
91599-81-4.mol |
| Chemical Properties | Back Directory | [alpha ]
-12 º (C=1 IN MEOH) | [Boiling point ]
275 °C (lit.) | [density ]
1.07 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.547(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
clear liquid | [pka]
14.82±0.20(Predicted) | [color ]
Light orange to Yellow to Green | [Optical Rotation]
[α]24/D 12°, c = 1 in methanol | [InChI]
InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m1/s1 | [InChIKey]
UTTCOAGPVHRUFO-GFCCVEGCSA-N | [SMILES]
N1(CC2=CC=CC=C2)CCC[C@@H](O)C1 | [CAS DataBase Reference]
91599-81-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic 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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
3
| [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Uses]
(R)-1-Benzyl-3-piperidinol is a benzylpiperidine derivative with hypotensive affects. (R)-1-Benzyl-3-piperidinol is used in the preparation of in vivo probes for measuring endogenous acetylcholine lev
els. | [Synthesis]
General procedure for the synthesis of (R)-(-)-1-benzyl-3-hydroxypiperidine using 1-benzyl-3-piperidone as starting material: a reaction mixture was prepared in 1 mL of potassium phosphate buffer (100 mM, pH 7.0) containing 200 mM 1-benzyl-3-piperidone, 1 mM NAD+, 5% (v/v) 2-propanol, and 10 mg of the crude enzyme READH. The reaction mixture warmed at 50°C. For ChKRED20, the reaction conditions were adjusted to 40% (v/v) 2-propanol and 40 °C reaction temperature. The reaction progress was monitored by TLC and the reaction was terminated by extraction with 1 mL of methyl tert-butyl ether. The organic phase was dried with anhydrous sodium sulfate and concentrated. The conversion and enantiomeric excess were determined by chiral HPLC. The products were purified by silica gel column chromatography and structurally characterized by NMR analysis, spinometry and mass spectrometry. | [References]
[1] Process Biochemistry, 2017, vol. 56, p. 90 - 97 |
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