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CAS No.: | 15862-72-3 |
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Name: | Ethyl pipecolinate |
Article Data: | 25 |
Molecular Structure: | |
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 |
ethyl-2-picolinate
ethyl pipecolate
Conditions | Yield |
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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; |
Conditions | Yield |
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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; |
pipecolic Acid
ethyl pipecolate
Conditions | Yield |
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With ethanol; sulfuric acid |
ethanol
ethyl pipecolate
Conditions | Yield |
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With sulfuric acid |
2-Picolinic acid
ethyl pipecolate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium; amyl alcohol 2: ethanol; H2SO4 View Scheme |
1-Hydroxymethyl-1H-benzotriazole
ethyl pipecolate
N-<(benzotriazolyl)methyl>-pipecolinic acid ethyl ester
Conditions | Yield |
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In ethanol for 12h; Ambient temperature; | 100% |
ethyl pipecolate
ethyl N-chloropipecolinate
Conditions | Yield |
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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% |
3,4-dimethoxy-2-allylbenzaldehyde
ethyl pipecolate
(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 | Yield |
---|---|
In toluene Heating; | 99% |
N-(2-Hydroxyethyl)phthalimide
ethyl pipecolate
1-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidine-2-carboxylic acid ethyl ester
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% |
ethyl pipecolate
allylmagnesium bromide
4-(piperidine-2-yl)-hepta-1,6-dien-4-ol
Conditions | Yield |
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In diethyl ether at 0℃; Reflux; Inert atmosphere; | 98% |
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]2 and 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