CAS No.15862-72-3,Ethyl pipecolinate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15862-72-3
Name:	Ethyl pipecolinate
Article Data:	25

Formula:	C₈H₁₅NO₂
Molecular Weight:	157.213
Synonyms:	Pipecolicacid, ethyl ester (6CI,7CI,8CI);Pipecolinic acid ethyl ester;2-(Ethoxycarbonyl)piperidine;DL-Ethyl pipecolinate;DL-Pipecolic acid ethyl ester;Ethyl 2-pipecolate;NSC 49360;
EINECS:	239-990-6
Density:	1.003 g/cm³
Boiling Point:	214.1 °C at 760 mmHg
Flash Point:	46.1 °C
Solubility:	Soluble in water
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	Xi,C
Risk Codes:	10-36/37/38-34-20/21
Safety:	26-36-36/37/39
Transport Information:	UN 1993 3/PG 3
PSA:	38.33000
LogP:	1.02040

Synthetic route

: 2524-52-9
ethyl-2-picolinate

: 15862-72-3
ethyl pipecolate

Conditions

Conditions	Yield
With carbamic acid, phenyl-, 1-methylethyl ester; hydrogen; [(norbornadiene)rhodium(I)chloride]2 In tetrahydrofuran at 60℃; under 75006 Torr; for 20h; Product distribution; Further Variations:; Catalysts; Solvents; Reagents;	100%
With 1,4-dioxane; nickel at 150℃; under 183877 Torr; Hydrogenation;

: 64-17-5
ethanol

: 4043-87-2
pipecolic Acid

: 15862-72-3
ethyl pipecolate

Conditions

Conditions	Yield
With thionyl chloride at 0℃; for 2h; Reflux; Inert atmosphere;	93%
With thionyl chloride for 3h; Heating;
With thionyl chloride In ethanol for 5h; Reflux;

: 4043-87-2
pipecolic Acid

: 15862-72-3
ethyl pipecolate

Conditions

Conditions	Yield
With ethanol; sulfuric acid

: 64-17-5
ethanol

hydrochloride of/the/ pipecolic acid: hydrochloride of/the/ pipecolic acid

: 15862-72-3
ethyl pipecolate

Conditions

Conditions	Yield
With sulfuric acid

: 98-98-6
2-Picolinic acid

: 15862-72-3
ethyl pipecolate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium; amyl alcohol 2: ethanol; H2SO4 View Scheme

: 28539-02-8
1-Hydroxymethyl-1H-benzotriazole

: 15862-72-3
ethyl pipecolate

: 170164-57-5
N-<(benzotriazolyl)methyl>-pipecolinic acid ethyl ester

Conditions

Conditions	Yield
In ethanol for 12h; Ambient temperature;	100%

: 15862-72-3
ethyl pipecolate

: 219718-34-0
ethyl N-chloropipecolinate

Conditions

Conditions	Yield
With sodium hypochlorite; acetic acid; tert-butyl alcohol In various solvent(s) at 0℃; for 0.5h;	100%
With N-chloro-succinimide In diethyl ether at 0 - 5℃; for 4h;	85%

: 92345-90-9
3,4-dimethoxy-2-allylbenzaldehyde

: 15862-72-3
ethyl pipecolate

: 92345-93-2
(5aS,10aR,11aS)-8,9-Dimethoxy-1,2,3,4,5a,10,10a,11-octahydro-indeno[2,1-b]indolizine-11a-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In toluene Heating;	99%

: 3891-07-4
N-(2-Hydroxyethyl)phthalimide

: 15862-72-3
ethyl pipecolate

: 139579-84-3
1-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidine-2-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: N-(2-Hydroxyethyl)phthalimide With trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.166667h; Stage #2: ethyl pipecolate With 2,6-dimethylpyridine; TEA In dichloromethane at 20℃;	98%

: 15862-72-3
ethyl pipecolate

: 1730-25-2
allylmagnesium bromide

: 937653-56-0
4-(piperidine-2-yl)-hepta-1,6-dien-4-ol

Conditions

Conditions	Yield
In diethyl ether at 0℃; Reflux; Inert atmosphere;	98%

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Specification

The IUPAC name of Ethyl piperidine-2-carboxylate is ethyl piperidine-2-carboxylate. With the CAS registry number 15862-72-3, it is also named as Pipecolinic acid ethyl ester. The product's category is Piperidine. Besides, it is clear colorless to light yellow liquid, which should be stored in closed, dark, ventilated and dry place at 2-8 °C. In addition, its molecular formula is C₈H₁₅NO₂ and molecular weight is 157.21.

The other characteristics of this product can be summarized as: (1)EINECS: 239-990-6; (2)ACD/LogP: 0.99; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.04; (5)ACD/LogD (pH 7.4): -0.94; (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): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 41.99 cm³; (15)Molar Volume: 156.6 cm³; (16)Surface Tension: 32 dyne/cm; (17)Density: 1.003 g/cm³; (18)Flash Point: 46.1 °C; (19)Enthalpy of Vaporization: 45.05 kJ/mol; (20)Boiling Point: 214.1 °C at 760 mmHg; (21)Vapour Pressure: 0.158 mmHg at 25 °C.

Preparation of Ethyl piperidine-2-carboxylate: this chemical can be prepared by Pyridine-2-carboxylic acid ethyl ester.

This reaction needs H₂, prophos, [Rh(nbd)₂Cl]₂and Tetrahydrofuran at temperature of 60 °C. The reaction time is 20 hours. The yield is 100 %.

Uses of Ethyl piperidine-2-carboxylate: it can react with Furfural to get 1-Furan-2-ylmethyl-piperidine-2-carboxylic acid ethyl ester.

This reaction needs Borane-pyridine complex and Ethanol. The yield is 75 %.

When you are using this chemical, please be cautious about it as the following: it is flammable that may cause burns. It is also harmful by inhalation and in contact with skin. Moreover, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)C1NCCCC1
(2)InChI: InChI=1/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
(3)InChIKey: SZIKRGHFZTYTIT-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
(5)Std. InChIKey: SZIKRGHFZTYTIT-UHFFFAOYSA-N