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3-Hydroxypiperidine hydrochloride

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Name

3-Hydroxypiperidine hydrochloride

EINECS 264-644-6
CAS No. 64051-79-2 Density 1.016g/cm3
PSA 32.26000 LogP 0.86150
Solubility N/A Melting Point 192-195 °C
Formula C5H12ClNO Boiling Point 191.9 °C at 760 mmHg
Molecular Weight 137.609 Flash Point 104.5 °C
Transport Information N/A Appearance beige solid.
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 64051-79-2 (3-Hydroxypiperidine hydrochloride) Hazard Symbols IrritantXi
Synonyms

3-Piperidinol,hydrochloride (9CI);piperidin-3-ol hydrochloride;piperidin-3-ol hydrochloride;Piperidin-3-ol hydrochloride (1:1);

 

3-Hydroxypiperidine hydrochloride Synthetic route

64051-79-2

piperidin-3-ol hydrochloride

4525-33-1

dimethyl dicarbonate

80613-04-3

3-hydroxypiperidine-1-carboxylic acid methyl ester

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 2h;94%
With sodium hydrogencarbonate In tetrahydrofuran for 14h;90%
With triethylamine In dichloromethane88%
64051-79-2

piperidin-3-ol hydrochloride

1694-92-4

2-Nitrobenzenesulfonyl chloride

267666-12-6

1-(2-nitro-benzenesulfonyl)-piperidin-3-one

Conditions
ConditionsYield
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
ConditionsYield
With pyridine In diethyl ether; dichloromethane for 2.5h;87%
64051-79-2

piperidin-3-ol hydrochloride

1939-99-7

benzenesulfonyl chloride

1-benzenesulfonylmethyl-piperidin-3-one

Conditions
ConditionsYield
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
ConditionsYield
With IPr2NEt In ethyl acetate; Petroleum ether82%
With IPr2NEt In ethyl acetate; Petroleum ether82%
50-00-0

formaldehyd

64051-79-2

piperidin-3-ol hydrochloride

98-86-2

acetophenone

(3-hydroxypiperidin-1-yl)-1-phenylpropan-1-one hydrochloride

Conditions
ConditionsYield
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
ConditionsYield
With potassium carbonate In ethyl acetate; acetonitrile77%

3-Hydroxypiperidine hydrochloride 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%.   

3-Hydroxypiperidine hydrochloride can react with phenylmethanesulfonyl chloride to produce 1-benzenesulfonylmethyl-piperidin-3-one

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

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