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CAS No.: | 2008-75-5 |
---|---|
Name: | 2-Piperidinoethylchloride hydrochloride |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H14ClN.HCl |
Molecular Weight: | 184.109 |
Synonyms: | Piperidine,1-(2-chloroethyl)-, hydrochloride (6CI,7CI,8CI,9CI);1-(2-Chloroethyl)piperidine hydrochloride;1-(2-Chloroethyl)piperidinemonohydrochloride;1-(2-Chloroethyl)piperidinium chloride;1-Chloro-2-piperidinoethane hydrochloride;2-(1-Piperidinyl)-1-chloroethanehydrochloride;2-(Piperidin-1-yl)ethyl chloride hydrochloride;2-Piperidino-1-chloroethane hydrochloride;N-(2-Chloroethyl)piperidine hydrochloride;N-(b-Chloroethyl)piperidine hydrochloride;1-(2-Chloroethyl) Piperidine hydrochloride; |
EINECS: | 217-920-5 |
Melting Point: | 230-232 °C(lit.) |
Boiling Point: | 190.3 °C at 760 mmHg |
Flash Point: | 68.9 °C |
Solubility: | soluble in water |
Appearance: | Colorless to beige crystals |
Hazard Symbols: | T+, Xi |
Risk Codes: | 28-34-36/37/38 |
Safety: | 26-28-36/37/39-45-24/25 |
Transport Information: | UN 2928 6.1/PG 2 |
PSA: | 3.24000 |
LogP: | 2.45100 |
Conditions | Yield |
---|---|
With thionyl chloride In chloroform for 3h; Cooling with ice; Reflux; | 85% |
With hydrogenchloride; thionyl chloride In chloroform for 1h; Heating / reflux; | 76% |
With thionyl chloride In chloroform for 4h; Reflux; Cooling with ice; |
Conditions | Yield |
---|---|
Stage #1: piperidine; 2-chloro-ethanol In toluene for 3h; Reflux; Stage #2: With thionyl chloride In toluene for 2h; Reflux; | 59.2% |
Stage #1: piperidine; 2-chloro-ethanol In toluene for 2h; Reflux; Stage #2: With thionyl chloride In toluene at 20℃; for 8h; Cooling with ice; | 15.5 g |
B
N-chloroethylpiperidine hydrochloride
B
N-chloroethylpiperidine hydrochloride
N-chloroethylpiperidine hydrochloride
4-[6-methoxy-2-(3-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
6-methoxy-2-(3-methoxyphenyl)-1-methyl-1-[4-(2-piperidin-1-yl-ethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
Stage #1: 4-[6-methoxy-2-(3-methoxyphenyl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol With sodium hydride In 1,4-dioxane at 20℃; for 0.166667h; Stage #2: N-chloroethylpiperidine hydrochloride With sodium hydride In 1,4-dioxane at 80℃; for 5h; | 100% |
4-bromo-phenol
N-chloroethylpiperidine hydrochloride
1-[2-(4-bromophenoxy)ethyl]piperidine
Conditions | Yield |
---|---|
With caesium carbonate; potassium iodide In N,N-dimethyl-formamide at 25 - 50℃; for 14.5h; | 100% |
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane; water at 20 - 35℃; for 18h; | 98.5% |
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane at 30 - 35℃; for 18h; Industrial scale; | 98.2% |
5-methylene-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-ol
N-chloroethylpiperidine hydrochloride
1-[2-(5-methylene-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-2-yloxy)ethyl]piperidine
Conditions | Yield |
---|---|
With sodium hydride In DMF (N,N-dimethyl-formamide) at 20℃; | 100% |
[6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl](4-hydroxyphenyl)methanone
N-chloroethylpiperidine hydrochloride
[6-Methoxy-2-(4-Methoxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-Piperidinyl)ethoxy]phenyl] Methanone
Conditions | Yield |
---|---|
In dichloromethane; water at 16 - 20℃; for 6.5h; Product distribution / selectivity; Reflux; | 100% |
With sodium hydroxide In dichloromethane; water at 16 - 20℃; for 6.75h; Product distribution / selectivity; Reflux; | 100% |
With sodium hydroxide In dichloromethane; water at 16℃; for 6.5h; Product distribution / selectivity; Reflux; | 100% |
4-(Diethylamino)salicylaldehyde
N-chloroethylpiperidine hydrochloride
4-diethylamino-2-[2-(1-piperidyl)ethoxy]benzaldehyde
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 80℃; for 4h; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 6h; Heating; | 99% |
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The IUPAC name of 1-(2-Chloroethyl)piperidine hydro-chloride is 1-(2-chloroethyl)piperidine hydrochloride. With the CAS registry number 2008-75-5, it is also named as Piperidinoethyl chloride, hydrochloride. The product's categories are Piperidines, Piperidones, Piperazines; Piperidine. Besides, it is colorless to beige crystals, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. In addition, its molecular formula is C7H14ClN.HCl and molecular weight is 184.11.
The other characteristics of this product can be summarized as: (1)EINECS: 217-920-5; (2)ACD/LogP: 1.92; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.86; (5)ACD/LogD (pH 7.4): 0.74; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1.11; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 17.27; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 3.24 Å2; (14)Flash Point: 68.9 °C; (15)Melting point: 228-234 °C; (16)Enthalpy of Vaporization: 42.65 kJ/mol; (17)Boiling Point: 190.3 °C at 760 mmHg; (18)Vapour Pressure: 0.545 mmHg at 25 °C.
Uses of 1-(2-Chloroethyl)piperidine hydro-chloride: this chemical is used as intermediate for the syntheses of pharmaceuticals. Additionally, it can react with ethylamine to get ethyl-(2-piperidin-1-yl-ethyl)-amine.
This reaction needs H2O at temperature of 20 °C for 2 hours. The yield is 87 %.
When you are using this chemical, please be cautious about it as the following: it is very toxic if swallowed. It may also cause burns. And it irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes. After contact with skin, wash immediately with plenty of soap-suds. Furthermore, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: ClCCN1CCCCC1.Cl
(2)InChI: InChI=1/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
(3)InChIKey: VFLQQZCRHPIGJU-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 93mg/kg (93mg/kg) | BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 94, Pg. 249, 1948. |
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07326, | |
mouse | LD50 | subcutaneous | 125mg/kg (125mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 25, 1949. |