CAS No.3040-44-6,2-Piperidinoethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3040-44-6
Name:	2-Piperidinoethanol
Article Data:	54

Formula:	C₇H₁₅NO
Molecular Weight:	129.202
Synonyms:	1-(2-Hydroxyethyl)piperidine;2-(1-Piperidino)ethanol;2-(1-Piperidinyl)ethanol;2-(N-Piperidino)ethanol;2-(Piperid-1-yl)ethanol;1-Piperidineethanol;N-(2-Hydroxyethyl)piperidine;N-(b-Hydroxyethyl)piperidine;N-Piperidineethanol;N-Piperidinoethanol;NSC 3460;b-Piperidinoethanol;
EINECS:	221-244-6
Density:	0.974 g/cm³
Melting Point:	16 °C
Boiling Point:	200.5 °C at 760 mmHg
Flash Point:	91.2 °C
Appearance:	clear colourless liquid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	36/37/39
Transport Information:	UN 2735
PSA:	23.47000
LogP:	0.40250

Synthetic route

: 110-89-4
piperidine

: 540-51-2
2-bromoethanol

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 16h;	99%
at 80℃; for 72h;	85%
With sodium carbonate In acetonitrile at 20℃; for 48h; Reflux;	36.8%

: 23853-10-3
piperidin-1-yl-acetic acid ethyl ester

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
With C30H34Cl2N2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 100℃; under 38002.6 - 76005.1 Torr; for 5h; Glovebox; Autoclave;	96%
With ethanol; ruthenium(bis[2‐(ethylsulfanyl)ethyl]amine)(dichloro)(triphenylphosphine); potassium tert-butylate In toluene at 80℃; for 16h;	95%
With ethanol; nickel at 50℃; under 110326 - 147102 Torr; Hydrogenation;

: 58583-90-7
methyl 2-piperidylacetate

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate In methanol at 100℃; under 37503.8 Torr; for 16h; Autoclave; Inert atmosphere;	86%

: 136616-35-8
1-(2-(2-methoxy-4-nitrophenoxy)ethyl)piperidine

A: 110-89-4
piperidine

B: 766-09-6
1-ethyl-piperidine

C: 3040-44-6
1-piperidinoethanol

D: 3251-56-7
2-methoxy-4-nitrophenol

E: 3-Azonia-spiro[2.5]octane

F: 3-methoxy-4-(2-(piperidin-1-yl)ethoxy)aniline

Conditions

Conditions	Yield
In acetonitrile Rate constant; Product distribution; Mechanism; Ambient temperature; Irradiation;	A n/a B n/a C n/a D 83% E n/a F n/a

...Expand

: 110-89-4
piperidine

: 67-56-1
methanol

: 50-00-0
formaldehyd

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; titanium(III) chloride at 20℃; for 0.5h; Acidic aq. solution; Inert atmosphere;	80%

...Expand

: 110-89-4
piperidine

: 107-07-3
2-chloro-ethanol

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
at 70℃; for 5h;	75%
With acetone
With benzene

: 6052-80-8
4-(2,6-dioxacyclohexyl)phenol

: 1391906-41-4
2-(dimethylamino)ethyl ethyl carbonate

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
Stage #1: 4-(2,6-dioxacyclohexyl)phenol; 2-(dimethylamino)ethyl ethyl carbonate In acetonitrile at 200℃; under 12001.2 Torr; for 8h; Autoclave; Stage #2: With trifluoroacetic acid In acetonitrile at 20℃; for 20h;	69%

: 75-21-8
oxirane

: 110-89-4
piperidine

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
at 100℃;
at 100℃;
With water Im Rohr bei Raumtemperatur;

: 111-24-0
1,5-dibromo-pentane

: 141-43-5
ethanolamine

: 3040-44-6
1-piperidinoethanol

Conditions

Conditions	Yield
With potassium hydroxide

: 110-89-4
piperidine

: 107-21-1
ethylene glycol

A: 3040-44-6
1-piperidinoethanol

B: 1932-04-3
1,2-dipiperidinoethane

Conditions

Conditions	Yield
With triphenylphosphine; ruthenium trichloride at 120℃; for 15h; Product distribution; other catalyst, also with THF, other phosphine, also at 220 degC;
With triphenylphosphine; ruthenium trichloride at 220℃; for 15h;

...Expand

Raw Materials

75-21-8

540-51-2

50-00-0

Downstream Products

108-86-1

836-58-8

63887-41-2

678-26-2

355-25-9

2008-75-5

84449-90-1

4096-20-2

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of N-(Hydroxyethyl)piperidine is 2-piperidin-1-ylethanol. With the CAS registry number 3040-44-6, it is also named as 1-(2-Hydroxyethyl)piperidine. The product's categories are Amines; Heterocycles. Besides, it is clear colourless liquid, which should be closed in a cool and dry place. In addition, its molecular formula is C₇H₁₅NO and molecular weight is 129.20.

The other characteristics of this product can be summarized as: (1)EINECS: 221-244-6; (2)ACD/LogP: 1.06; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.91; (5)ACD/LogD (pH 7.4): -0.57; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 2.13; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.48 cm³; (15)Molar Volume: 132.5 cm³; (16)Surface Tension: 35.6 dyne/cm; (17)Density: 0.974 g/cm³; (18)Flash Point: 91.2 °C; (19)Melting Point: 16 °C; (20)Enthalpy of Vaporization: 50.81 kJ/mol; (21)Boiling Point: 200.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0802 mmHg at 25 °C.

Preparation of N-(Hydroxyethyl)piperidine: this chemical can be prepared by the reaction of piperidine with 2-bromo-ethanol.

This reaction will occur at temperature of 80 °C for 72 hours. The yield is 85 %.

Uses of N-(Hydroxyethyl)piperidine: it can react with phthalic acid anhydride to get phthalic acid mono-(2-piperidino-ethyl ester).

This reaction needs benzene by heating for 4.5 hours. The yield is 96.5 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. And it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CCN(CC1)CCO
(2)InChI: InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
(3)InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	oral	250mg/kg (250mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 419, 1935.
rat	LD50	intravenous	166mg/kg (166mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1916, 1975.
rat	LD50	oral	1498mg/kg (1498mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1916, 1975.