CAS No.6091-44-7,Piperidine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6091-44-7
Name:	Piperidine hydrochloride
Article Data:	98

Formula:	C₅H₁₁N^.HCl
Molecular Weight:	121.61
Synonyms:	Piperidine, hydrochloride (7CI,8CI,9CI);Piperidinium chloride;Piperidine, hydrochloride (1:1);Hexahydropyridine hydrochloride;NSC 27162;
EINECS:	228-033-8
Density:	1,12 g/cm3
Melting Point:	245-249 °C
Boiling Point:	106.4 °C at 760 mmHg
Flash Point:	4.4 °C
Solubility:	Soluble in water and ethanol
Appearance:	white fine crystalline powder
Hazard Symbols:	T
Risk Codes:	36/37/38-23/24/25
Safety:	36/37/39-45-26
Transport Information:	UN 2811 6.1/PG 3
PSA:	16.61000
LogP:	-1.69310

Synthetic route

: 110-89-4
piperidine

A: 123-56-8
Succinimide

B: 25116-80-7
N,N'-thiodipiperidine

C: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
With N-chlorothiophthalimide In 1,2-dichloro-ethane at 20 - 25℃; for 2h;	A n/a B 77% C 100%

...Expand

: 110-89-4
piperidine

: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In ethanol for 2h; Reflux;	100%
With tetrachloromethane; dicarbonylchloro(2,1,3-benzothiadiazole)rhodium(I) for 360h; Ambient temperature; also with other chlorinated solvents and rhodium complex catalysts;	50%
Multi-step reaction with 2 steps 1: 18 percent / CHCl3 / 8 h / Heating 2: 0.4 g / HCl / diethyl ether View Scheme

: 110-86-1
pyridine

: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
Stage #1: pyridine With palladium 10% on activated carbon; hydrogen; acetic acid at 24 - 28℃; for 15h; Stage #2: With hydrogenchloride In methanol; water Catalytic behavior;	100%
Stage #1: pyridine With palladium on activated charcoal; hydrogen; acetic acid at 20℃; under 760.051 Torr; for 15h; Stage #2: With hydrogenchloride In methanol; water Time;	100%
With hydrogenchloride; methanol; lithium triethylborohydride 1.) THF, RT. 0.5 h; Yield given. Multistep reaction;
Stage #1: pyridine With ammonium formate; 10percent palladium on carbon In methanol at 20℃; for 16h; Stage #2: With hydrogenchloride In methanol Further stages.;	95 % Spectr.
Stage #1: pyridine With hydrogen In 1,4-dioxane at 100℃; under 15001.5 Torr; for 3.33333h; Autoclave; Stage #2: With hydrogenchloride

: 2402-95-1
2-chloropyridine-N-oxide

: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-chloropyridine-N-oxide With ammonium formate; 10percent palladium on carbon In methanol at 20℃; for 16h; Stage #2: With hydrogenchloride In methanol Further stages.;	100%

: 66203-96-1, 115871-51-7
N-(2-chloropropionyl)piperidine

: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
With methanol at 50℃; for 0.5h;	99%

: 2-(2'-nitrophenylsulphone)-1-chloroindane

A: 6091-44-7
piperidine hydrochloride

B: 100461-60-7
2-(2'-nitrophenylsulphone)indene

Conditions

Conditions	Yield
With piperidine In tetrahydrofuran for 0.166667h; Ambient temperature;	A n/a B 99%

: 75844-69-8
t-butyl piperidinecarboxylate

: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
With sulfuric acid; sodium chloride In neat (no solvent) at 20℃; for 1h; Sealed tube;	99%

: 110-89-4
piperidine

: tris(dimethylamino)isothiocyanatophosphonium chloride

A: 6091-44-7
piperidine hydrochloride

B: C12H28N5PS

Conditions

Conditions	Yield
for 6h;	A n/a B 98%

...Expand

: 2905-56-8
N-Benzylpiperidine

: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
With 1,1,2-trichloroethane; 10% palladium on activated carbon; hydrogen In methanol under 760.051 Torr; for 1h; chemoselective reaction;	98%
With dichloromethane; hydrogen; palladium on activated charcoal In methanol at 20℃; for 24h; atmospheric pressure;	97%
With Na2K-SG(I) In tetrahydrofuran at 20℃; Inert atmosphere;	82%
With hydrogenchloride; Vinyl chloroformate 1.) CH2Cl2, 0 deg C to room temperature;reflux, 4 h, 3.) MeOH, 50-60 deg C, 4.5 h; Yield given. Multistep reaction;

: 2981-10-4
1-(cyclohex-1-en-1-yl)piperidine

: 32803-73-9
methyl 3-phenyl-3-chloro-2-ketopropionate

A: 3626-62-8
2-phenyl-1-(1-piperidinyl)ethanone

B: methyl 1-(5-chloropentyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole-3-carboxylate

C: 6091-44-7
piperidine hydrochloride

Conditions

Conditions	Yield
In 1,4-dioxane for 2h; Reflux;	A 4% B 95% C 1%

...Expand

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Piperidine hydrochloride, with the CAS registry number 6091-44-7, is also known as Piperidine, hydrochloride (1:1). It belongs to the product categories of Piperidine; Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS number is 228-033-8. This chemical's molecular formula is C₅H₁₁N^.HCl and molecular weight is 121.63. What's more, its systematic name is Piperidinium chloride. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. This chemical is used in organic synthesis.

Physical properties of Piperidine hydrochloride are: (1)ACD/LogP: 0.932; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.17; (4)ACD/LogD (pH 7.4): -2.10; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Flash Point: 4.4 °C; (13)Enthalpy of Vaporization: 34.53 kJ/mol; (14)Boiling Point: 106.4 °C at 760 mmHg; (15)Vapour Pressure: 28.3 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(2-chloropropionyl)piperidine at the temperature of 50 °C. This reaction will need reagent methanol with the reaction time of 30 min. The yield is about 99%.

Piperidine hydrochloride can be prepared by N-(2-chloropropionyl)piperidine at the temperature of 50 °C

Uses of Piperidine hydrochloride: it can be used to produce 2,8-Dimethyl-6-(1-piperidyl)-9H-purin at the temperature of 200 °C. It will need reagents P₂O₅, NEt₃·HCl with the reaction time of 3 hours. The yield is about 76%.

Piperidine hydrochloride can be used to produce 2,8-Dimethyl-6-(1-piperidyl)-9H-purin at the temperature of 200 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. 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. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[NH2+]1CCCCC1
(2)Std. InChI: InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
(3)Std. InChIKey: VEIWYFRREFUNRC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	subcutaneous	1gm/kg (1000mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: PULSE RATE AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC	Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
mouse	LD50	intraperitoneal	330mg/kg (330mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Japanese Journal of Pharmacology. Vol. 17, Pg. 475, 1967.
mouse	LD50	intravenous	160mg/kg (160mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 112, Pg. 36, 1957.
mouse	LDLo	subcutaneous	657mg/kg (657mg/kg)		Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
mouse	LDLo	subcutaneous	657mg/kg (657mg/kg)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC	Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
rat	LD50	oral	133mg/kg (133mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 289, 1972.

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