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CAS No.: | 7462-86-4 |
---|---|
Name: | Methyl 4-piperidinecarboxylate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H13 N O2 . Cl H |
Molecular Weight: | 179.647 |
Synonyms: | 4-Piperidinecarboxylicacid, methyl ester, hydrochloride (9CI); Methyl isonipecotate hydrochloride;Methyl piperidine-4-carboxylate hydrochloride |
EINECS: | 203-126-8 |
Density: | 1.06 |
Melting Point: | 160°C |
Boiling Point: | 193.8 °C at 760 mmHg |
Flash Point: | 89 ºC |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | 26-36 |
PSA: | 38.33000 |
LogP: | 1.28980 |
1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate
methyl piperidine-4-carboxylate hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In dichloromethane; ethyl acetate at 20℃; for 1.5h; Inert atmosphere; | 99% |
With hydrogenchloride In dichloromethane; ethyl acetate at 20℃; for 1.5h; | 99% |
With hydrogenchloride In 1,4-dioxane at 20℃; for 4h; | 99.57% |
Conditions | Yield |
---|---|
With thionyl chloride at 80℃; for 3h; | 98.8% |
With thionyl chloride for 2h; Reflux; | 98.4% |
With thionyl chloride at 20℃; for 20h; Esterification; | 84% |
Conditions | Yield |
---|---|
In tetrahydrofuran; hydrogenchloride; methanol; water |
methyl piperidine-4-carboxylate hydrochloride
benzyl bromide
1-benzyl-4-piperidinecarboxylic acid methyl ester
Conditions | Yield |
---|---|
With triethylamine In methanol for 6h; Reflux; | 94.2% |
With triethylamine In dichloromethane at 20℃; Alkylation; | 79.7% |
With triethylamine In dichloromethane at 10 - 20℃; |
methyl piperidine-4-carboxylate hydrochloride
2,2-dimethylpropanoic anhydride
1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate
Conditions | Yield |
---|---|
With sodium hydroxide In tert-butyl alcohol for 48h; | 92% |
methyl piperidine-4-carboxylate hydrochloride
benzyl chloroformate
piperidine-1,4-dicarboxylic acid 1-benzyl ester 4-methyl ester
Conditions | Yield |
---|---|
Stage #1: methyl piperidine-4-carboxylate hydrochloride With sodium hydrogencarbonate In 1,4-dioxane; water at 0 - 5℃; Stage #2: benzyl chloroformate In 1,4-dioxane; water at 0 - 20℃; for 24h; | 85% |
methyl piperidine-4-carboxylate hydrochloride
(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid
methyl 1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-carboxylate
Conditions | Yield |
---|---|
With diethylphosphoryl cyanide; triethylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; | 79% |
methyl piperidine-4-carboxylate hydrochloride
Conditions | Yield |
---|---|
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; | 78% |
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 12h; | 78% |
methyl piperidine-4-carboxylate hydrochloride
pivaloyl chloride
methyl 1-pivaloylpiperidine-4-carboxylate
Conditions | Yield |
---|---|
Stage #1: methyl piperidine-4-carboxylate hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane for 0.166667h; Stage #2: pivaloyl chloride In dichloromethane at 20℃; | 77% |
methyl piperidine-4-carboxylate hydrochloride
4-bromo-3-fluoroiodobenzene
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 110℃; for 12h; Inert atmosphere; | 74% |
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 110℃; for 12h; | 74% |
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Molecular Structure of Methyl 4-piperidinecarboxylate (CAS NO.7462-86-4):
IUPAC Name: methyl piperidine-4-carboxylate
Empirical Formula: C7H13NO2
Molecular Weight: 143.1836
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 29.54Å2
Index of Refraction: 1.445
Molar Refractivity: 37.35 cm3
Molar Volume: 140 cm3
Surface Tension: 31.7 dyne/cm
Density: 1.021 g/cm3
Flash Point: 71 °C
Enthalpy of Vaporization: 42.99 kJ/mol
Boiling Point: 193.8 °C at 760 mmHg
Vapour Pressure: 0.457 mmHg at 25°C
Melting point: 160°C
Product Categories: Esters; Pyrans, Piperidines &Piperazines; Pyrans, Piperidines & Piperazines
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Methyl 4-piperidinecarboxylate , with CAS number of 7462-86-4, can be called 4-piperidinecarboxylic acid, methyl ester ; Methyl piperidin-4-carboxylate ; Methyl piperidine-4-carboxylate ; Methylpiperidin-4-carboxylat .