1-(2-Chloroethyl)piperidine hydrochloride
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1-(2-Chloroethyl)piperidine hydrochloride
structure -
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CAS No:
2008-75-5
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Formula:
C7H14ClN.ClH
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Chemical Name:
1-(2-Chloroethyl)piperidine hydrochloride
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Synonyms:
Piperidine,1-(2-chloroethyl)-,hydrochloride (1:1);Piperidine,1-(2-chloroethyl)-,hydrochloride;N-(β-Chloroethyl)piperidine hydrochloride;1-Chloro-2-piperidinoethane hydrochloride;2-Piperidinoethyl chloride hydrochloride;1-(2-Chloroethyl)piperidine hydrochloride;N-(2-Chloroethyl)piperidine hydrochloride;2-Piperidino-1-chloroethane hydrochloride;2-(Piperidin-1-yl)ethyl chloride hydrochloride;1-(2-Chloroethyl)piperidine monohydrochloride;2-(1-Piperidinyl)-1-chloroethane hydrochloride;1-(2-Chloroethyl)piperidinium chloride;1-Chloro-2-(1-piperidinyl)ethane monohydrochloride
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CAS No:
1-(2-Chloroethyl)piperidine hydrochloride Basic Attributes
184.11
183.058151
217-920-5
30790|9995
DTXSID20173902
2933399090
Characteristics
3.2
2.45100
Beige crystalline powder.
231 °C
196 °C
68.9ºC
soluble
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
0.545mmHg at 25°C
Safety Information
II
6.1
UN 2928 6.1/PG 2
2
R28;R34
S26-S28-S36/37/39-S45-S24/25
TM6482500
T+:Verytoxic;
Stable at room temperature in closed containers under normal storage and handling conditions.
P264-P280-P301 + P310-P305 + P351 + P338-P310
H300-H314
|Danger|H300 (98.72%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P264, P270, P280, P281, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 78 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(2-Chloroethyl)piperidine hydrochloride Use and Manufacturing
N-hydroxyethylpiperidine (5ml) was dissolved in chloroform (12.5ml). 3.4ml of thionyl chloride was slowly added dropwise under ice-cooling. The mixture was slowly heated to reflux for 3 hours, cooled to room temperature, Out solvent, a large number of crystal precipitation, ethanol recrystallization 5.88g, yield 85percent.Preparation of 2-piperidinylethanesulfonic acid (Compound PG); A solution of 2-piperidineethanol (containing 10percent of impurety) (6 g, 46.44 mmol) in anhydrous CHCl170 g (2 mol) of piperidine, 67 ml (1 mol) of 2-chlorohydrin and 200 ml of toluene were added successively into a reaction flask. The mixture was heated to the reflux temperature and reacted for 3 h, then cooled to room temperature. The solid separated out was filtered by sucking and the filter cake was washed with 20 ml toluene. The temperature of the filtrate was controlled at about 75° C. , then 200 ml of thionyl chloride was added dropwise. The mixture was refluxed for 2 h, then cooled to room temperature. The reaction mixture was concentrated to dry in a reduce pressure, and the residue was recrystallized with absolute ethyl alcohol to obtain 217 g of a white solid with the yield of 59.2percent. m.p. 229-233° C7.3 ml of piperidine (0.1 mol) was mixed with 8.1 ml of 2-chloroethanol (1.2 mol) in 30 ml of toluene, heated under reflux for 2 hours, The reaction solution was cooled to room temperature, and 20.0 ml (0.27 mol) of thionyl chloride was added dropwise to the ice bath, The mixture was stirred at room temperature for 8 hours, toluene and thionyl chloride were distilled off under reduced pressure, The residual solid was recrystallized from ethanol to give 15.5 g of ethyl chloroacetylidine hydrochloride.
1-(2-Chloroethyl)piperidine hydrochloride is used as intermediate for the syntheses of pharmaceuticals (e.g. fenpiverinium bromide, cloperastine and pitofenone).
Computed Properties
Molecular Weight:184.10
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:183.0581549
Monoisotopic Mass:183.0581549
Topological Polar Surface Area:3.2
Heavy Atom Count:10
Complexity:69.3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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