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| CAS No.: | 6859-99-0 |
|---|---|
| Name: | 3-Hydroxypiperidine |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11NO |
| Molecular Weight: | 101.148 |
| Synonyms: | 3-Hydroxyhexahydropyridine;NSC 62082;Piperidin-3-ol; |
| EINECS: | 229-957-4 |
| Density: | 1.017 g/cm3 |
| Melting Point: | 56-60 °C |
| Boiling Point: | 191.935 °C at 760 mmHg |
| Flash Point: | 104.475 °C |
| Solubility: | soluble in water |
| Appearance: | White to light yellow crystalline powder and lumps |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 34-20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45-27 |
| Transport Information: | UN 3263 8/PG 2 |
| PSA: | 32.26000 |
| LogP: | 0.05950 |
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3-hydroxypiperazine
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1-benzyl-3-hydroxypiperidine
- 6859-99-0
3-hydroxypiperazine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on carbon In tetrahydrofuran; methanol under 2585.81 Torr; for 16h; | 98% |
- 6859-99-0
3-hydroxypiperazine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 10 - 50℃; for 7h; | 85% |
- 6859-99-0
3-hydroxypiperazine
| Conditions | Yield |
|---|---|
| With sodium carbonate In water at 10 - 40℃; for 5h; | 80% |
- 6612-51-7
1-trimethylsilanyl-1,2,3,6-tetrahydro-pyridine
A
- 6859-99-0
3-hydroxypiperazine
B
- 5382-16-1
4-HYDROXYPIPERIDINE
| Conditions | Yield |
|---|---|
| A 75% B 25% |
- 65520-06-1
3-hydroxypyridine hydrochloride
- 6859-99-0
3-hydroxypiperazine
| Conditions | Yield |
|---|---|
| With ethanol; platinum Hydrogenation; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 60℃; | 96% |
| With caesium carbonate In acetone; toluene at 20℃; for 24h; | 88% |
| In methanol for 2h; Heating; | |
| With potassium carbonate; triethylamine In tetrahydrofuran; hexane; ethyl acetate | |
| Multi-step reaction with 2 steps 1.1: potassium carbonate / toluene / 5 h / 40 - 50 °C 1.2: 2 h / 70 - 80 °C / Inert atmosphere 2.1: ethanol / tert-butyl methyl ether / 3 h / 10 - 20 °C View Scheme |
- 6859-99-0
3-hydroxypiperazine
- 24424-99-5
di-tert-butyl dicarbonate
- 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; | 100% |
| With triethylamine In methanol at 20℃; for 15h; | 99% |
| With triethylamine In methanol at 20℃; for 15h; | 99% |
- 6859-99-0
3-hydroxypiperazine
- 34619-03-9
tert-butyldicarbonate
- 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 15h; | 87% |
| With triethylamine In dichloromethane at 20℃; for 1h; | 83.6% |
| With triethylamine In tetrahydrofuran; dichloromethane | 12.66 g (87%) |
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetone; toluene at 20℃; for 24h; Darkness; | 86% |
| With potassium carbonate In tetrahydrofuran for 6h; Reflux; | 67% |
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Specification
The 3-Hydroxypiperidine, with the CAS registry number 6859-99-0, is also known as Piperidin-3-ol. It belongs to the product categories of Fine Chemical & Intermediates; Alcohols and Derivatives; Pyrans, Piperidines &Piperazines; Piperidine. Its EINECS number is 229-957-4. This chemical's molecular formula is C5H11NO and molecular weight is 101.15. What's more, its systematic name is 3-Piperidinol.
Physical properties of 3-Hydroxypiperidine are: (1)ACD/LogP: -0.357; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -2.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 27.997 cm3; (15)Molar Volume: 99.474 cm3; (16)Polarizability: 11.099×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 104.475 °C; (20)Enthalpy of Vaporization: 49.823 kJ/mol; (21)Boiling Point: 191.935 °C at 760 mmHg; (22)Vapour Pressure: 0.13 mmHg at 25°C.
Uses of 3-Hydroxypiperidine: it can be used to produce 3-hydroxy-piperidine-1-carbonyl chloride at the temperature of -65 °C. It will need reagent triethylamine and solvent CH2Cl2 with the reaction time of 15 hours. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. You should take off immediately all contaminated clothing. In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCNC1
(2)Std. InChI: InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2
(3)Std. InChIKey: BIWOSRSKDCZIFM-UHFFFAOYSA-N