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| CAS No.: | 3973-62-4 |
|---|---|
| Name: | 3-PHENYLPIPERIDINE |
| Molecular Structure: | |
|
|
|
| Formula: | C11H15N |
| Molecular Weight: | 161.247 |
| Synonyms: | 3-Phenylpiperidine; |
| EINECS: | 223-602-7 |
| Density: | 0.967 g/cm3 |
| Melting Point: | 142-143℃ |
| Boiling Point: | 263.183 °C at 760 mmHg |
| Flash Point: | 115.488 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.03000 |
| LogP: | 2.48240 |
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| Conditions | Yield |
|---|---|
| With hydrogen In water at 140℃; under 45004.5 Torr; for 24h; Autoclave; chemoselective reaction; | 98% |
| With triphenylborane; diphenylsilane; diphenylamine In toluene at 110℃; for 24h; Glovebox; Inert atmosphere; chemoselective reaction; | 90% |
| With palladium diacetate; C3H6BNO2 In tetrahydrofuran at 60℃; for 24h; Schlenk technique; Inert atmosphere; | 87.3% |
| Conditions | Yield |
|---|---|
| With 18 % Pd/C; hydrogen; acetic acid In ethanol at 60℃; under 760.051 Torr; for 12h; | 89.3% |
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal Hydrogenation; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran 1) r.t., 2 h, 2) reflux, 2 h; Yield given; |
- 3973-62-4
3-phenylpiperidine
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; ethanol Hydrogenation; |
- 3973-62-4
3-phenylpiperidine
| Conditions | Yield |
|---|---|
| With sodium; butan-1-ol |
- 3973-62-4
3-phenylpiperidine
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; ethanol Hydrogenation; |
- 3973-62-4
3-phenylpiperidine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |
- 3973-62-4
3-phenylpiperidine
| Conditions | Yield |
|---|---|
| With hydrogen bromide anschliessend Erhitzen in Toluol mit wss. Natronlauge; |
- 3973-62-4
3-phenylpiperidine
| Conditions | Yield |
|---|---|
| With sodium; butan-1-ol |
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Specification
The CAS register number of Piperidine, 3-phenyl- is 3973-62-4. It also can be called as (S)-3-Phenyl piperidine and the IUPAC name about this chemical is 3-phenylpiperidine. The molecular formula about this chemical is C11H15N and the molecular weight is 161.24. It belongs to the Piperidine.
Physical properties about Piperidine, 3-phenyl- are: (1)ACD/LogP: 2.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.508; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 12.03Å2; (10)Index of Refraction: 1.522; (11)Molar Refractivity: 50.851 cm3; (12)Molar Volume: 166.671 cm3; (13)Polarizability: 20.159x10-24cm3; (14)Surface Tension: 35.352 dyne/cm; (15)Enthalpy of Vaporization: 50.1 kJ/mol; (16)Boiling Point: 263.183 °C at 760 mmHg; (17)Vapour Pressure: 0.01 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C2CCCNC2
(2)InChI: InChI=1/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2
(3)InChIKey: NZYBILDYPCVNMU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2
(5)Std. InChIKey: NZYBILDYPCVNMU-UHFFFAOYSA-N