| Identification | More | [Name]
1-Benzyl-3-piperidinol | [CAS]
14813-01-5 | [Synonyms]
1-BENZYL-3-HYDROXYPIPERIDINE
1-BENZYL-3-PIPERIDINOL
1-BENZYL-PIPERIDIN-3-OL
1-N-BENZYL-3-HYDROXY-PIPERIDINE
CIS-1-BENZYL-2-METHYL-3-AMINO PYRROLIDINE
N-BENZYL-3-HYDROXYPIPERIDINE
N-BENZYL-3-PIPERIDINOL
3-PIPERIDINOL, 1-PHENYLMETHYL-
1-Phenylmethyl-3-Piperidinol
1-BENZYL-3-HYDROXYPIPERIDINE 98%
1-Benzyl-piperidin-3-ol HCl
1-(Phenylmethyl)piperidin-3-ol | [EINECS(EC#)]
238-881-0 | [Molecular Formula]
C12H17NO | [MDL Number]
MFCD00023734 | [Molecular Weight]
191.27 | [MOL File]
14813-01-5.mol |
| Chemical Properties | Back Directory | [Boiling point ]
140-142°C 6mm | [density ]
1,056 g/cm3 | [refractive index ]
n20/D 1.549
| [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
clear liquid | [pka]
14.82±0.20(Predicted) | [color ]
Colorless to Light yellow | [Sensitive ]
Hygroscopic | [BRN ]
135964 | [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 | [InChIKey]
UTTCOAGPVHRUFO-UHFFFAOYSA-N | [SMILES]
N1(CC2=CC=CC=C2)CCCC(O)C1 | [CAS DataBase Reference]
14813-01-5(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 2811 6.1/PG 3
| [WGK Germany ]
2
| [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
Reactant for bioresolution of tertiary amino ester protic ionic liquids using subtilisin
Reactant for synthesis of:
- Muscarinic M3 selective antagonists
- Rho kinase inhibitors
- Piperidine derivatives for investigations into α-adrenoreceptor direct activation
| [Synthesis]
General procedure for the synthesis of 1-benzyl-3-piperidinol from 1-benzyl-3-piperidone: first, N-benzyl-3-piperidone hydrochloride was converted to a free base by the addition of an aqueous solution of K2CO3, which was subsequently extracted with ethyl acetate. Next, sodium borohydride (NaBH4) (0.438 g, 11.57 mmol) was slowly added to an ethanol solution containing N-benzyl-3-piperidone (2.19 g, 11.57 mmol) over 10 min. The reaction mixture was stirred overnight at room temperature and then concentrated under vacuum. The concentrated residue was dissolved in 1.0 N HCl and washed twice with diethyl ether. Afterwards, the aqueous phase was adjusted to pH 12 with 3.0N KOH and extracted three times with dichloromethane. The organic phases were combined and dried with Na2SO4, followed by vacuum concentration. The purity of the crude product was 100% (1.900 g, 86% yield) by IC/MS (EI) analysis: m/z 192.3 (M+1). | [Waste Disposal]
2,4-Dichloro-5-methoxypyrimidine is a halogen-containing aromatic ring organic compound, which is more harmful to the water environment. Therefore, undiluted or large amounts of 2,4-dichloro-5-methoxypyrimidine should not be exposed to groundwater, waterways, or sewage systems. | [References]
[1] Patent: WO2005/26145, 2005, A2. Location in patent: Page/Page column 98
[2] Process Biochemistry, 2017, vol. 56, p. 90 - 97 |
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