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| CAS No.: | 64051-79-2 |
|---|---|
| Name: | 3-Hydroxypiperidine hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C5H12ClNO |
| Molecular Weight: | 137.609 |
| Synonyms: | 3-Piperidinol,hydrochloride (9CI);piperidin-3-ol hydrochloride;piperidin-3-ol hydrochloride;Piperidin-3-ol hydrochloride (1:1); |
| EINECS: | 264-644-6 |
| Density: | 1.016g/cm3 |
| Melting Point: | 192-195 °C |
| Boiling Point: | 191.9 °C at 760 mmHg |
| Flash Point: | 104.5 °C |
| Appearance: | beige solid. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 32.26000 |
| LogP: | 0.86150 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 64051-79-2
piperidin-3-ol hydrochloride
- 4525-33-1
dimethyl dicarbonate
- 80613-04-3
3-hydroxypiperidine-1-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With TEA In dichloromethane at 0 - 20℃; | 100% |
| With triethylamine In dichloromethane at 0 - 20℃; |
- 369-34-6
3,4-difluoronitrobenzene
- 64051-79-2
piperidin-3-ol hydrochloride
- 916988-48-2
1-(2-fluoro-4-nitrophenyl)-piperidin-3-ol
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 50 - 60℃; for 3h; | 100% |
- 64051-79-2
piperidin-3-ol hydrochloride
- 501-53-1
benzyl chloroformate
- 95798-22-4
3-hydroxy-piperidine-1-carboxylic acid benzyl ester
| Conditions | Yield |
|---|---|
| With sodium carbonate In tetrahydrofuran; water at 20℃; for 5h; | 96% |
| With triethylamine In dichloromethane at 0℃; for 19h; | 95% |
- 24424-99-5
di-tert-butyl dicarbonate
- 64051-79-2
piperidin-3-ol hydrochloride
- 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 2h; | 94% |
| With sodium hydrogencarbonate In tetrahydrofuran for 14h; | 90% |
| With triethylamine In dichloromethane | 88% |
- 64051-79-2
piperidin-3-ol hydrochloride
- 1694-92-4
2-Nitrobenzenesulfonyl chloride
- 267666-12-6
1-(2-nitro-benzenesulfonyl)-piperidin-3-one
| Conditions | Yield |
|---|---|
| With potassium carbonate In chloroform; water at 20℃; for 10h; Substitution; | 88% |
- 64051-79-2
piperidin-3-ol hydrochloride
- 407-25-0
trifluoroacetic anhydride
- 73193-62-1
N-trifluoroacetyl-3-hydroxypiperidine
| Conditions | Yield |
|---|---|
| With pyridine In diethyl ether; dichloromethane for 2.5h; | 87% |
- 64051-79-2
piperidin-3-ol hydrochloride
- 1939-99-7
benzenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With potassium carbonate In chloroform; water at 20℃; Substitution; | 83% |
- 50921-39-6
1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
- 96042-30-7
4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran
- 64051-79-2
piperidin-3-ol hydrochloride
- 405087-57-2
1-[1-(4-Chloro-phenyl)-cyclobutylmethyl]-3-(4-trifluoromethyl-benzyloxy)-piperidine
| Conditions | Yield |
|---|---|
| With IPr2NEt In ethyl acetate; Petroleum ether | 82% |
| With IPr2NEt In ethyl acetate; Petroleum ether | 82% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol for 3h; Addition; Mannich reaction; Heating; alkaline hydrolysis; | 77% |
- 127263-91-6
3-bis(4-fluorophenyl)methoxypiperidine
- 64051-79-2
piperidin-3-ol hydrochloride
- 105-36-2
ethyl bromoacetate
- 200273-74-1
3-bis(4-fluorophenyl)methoxypiperidin-1-yl acetic acid ethyl ester
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethyl acetate; acetonitrile | 77% |
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Specification
The 3-Hydroxypiperidine hydrochloride, with the CAS registry number 64051-79-2 and EINECS registry number 264-644-6, has the systematic name and IUPAC name of piperidin-3-ol hydrochloride. It belongs to the following product categories: Fine chemical & intermediates; Heterocyclic Compounds; Piperidines. And the molecular formula of this chemical is C5H12ClNO.
The physical properties of 3-Hydroxypiperidine hydrochloride are as followings: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.73; (4)ACD/LogD (pH 7.4): -3.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Flash Point: 104.5 °C; (14)Enthalpy of Vaporization: 49.82 kJ/mol; (15)Boiling Point: 191.9 °C at 760 mmHg; (16)Vapour Pressure: 0.134 mmHg at 25°C.
Uses of 3-Hydroxypiperidine hydrochloride: It can react with phenylmethanesulfonyl chloride to produce 1-benzenesulfonylmethyl-piperidin-3-one. This reaction will need reagent K2CO3, and the solvent H2O and CHCl3. The reaction temperature is 20°C, and the yield is about 83%.
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You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC1CCCNC1
(2)InChI: InChI=1/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
(3)InChIKey: VLECDMDGMKPUSK-UHFFFAOYAY