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N-Carbethoxy-4-piperidone

N-Carbethoxy-4-piperidone Basic information
Product Name:N-Carbethoxy-4-piperidone
Synonyms:1-PIPERIDINECARBOXYLIC ACID, 4-OXO-, ETHYL ESTER;4-Oxo-1-piperidinecarboxylic acid ethyl ester;N-Carbithoxy-4-Piperidone;1-Ethoxycarbonyl-4-Piperidone N-Carbethoxy-4-Hydroxy Piperidine;N-Carbethoxypiperidone;1-ETHOXYCARBONYL-4-PIPERIDONE 97+%;N-Carbethoxy-4-Piperidone99%;N-Carbethoxy-4-piperidon
CAS:29976-53-2
MF:C8H13NO3
MW:171.19
EINECS:249-984-5
Product Categories:Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;PHARMACEUTICAL INTERMEDIATES;Piperidines, Piperidones, Piperazines;Piperidine;Boronic Acid;Heterocyclic Compounds;(intermediate of loratadine);29976-53-2
Mol File:29976-53-2.mol
N-Carbethoxy-4-piperidone Structure
N-Carbethoxy-4-piperidone Chemical Properties
Boiling point 95-98 °C (1 mmHg)
density 1.135 g/mL at 25 °C (lit.)
vapor pressure 0.2-0.37Pa at 20-25℃
refractive index n20/D 1.475(lit.)
Fp 190 °F
storage temp. Inert atmosphere,Room Temperature
solubility Chloroform (Slightly), Methanol (Slightly)
pka-1.59±0.20(Predicted)
form Liquid
color Clear colorless to pale yellow
PH4.6 (H2O, 20℃)(saturated solution)
Water Solubility slightly soluble
BRN 640967
InChI1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3
InChIKeyLUBGFMZTGFXIIN-UHFFFAOYSA-N
SMILESCCOC(=O)N1CCC(=O)CC1
LogP0 at 20℃ and pH6.5-6.7
CAS DataBase Reference29976-53-2(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 36/38-22-36/37/38-20/21/22
Safety Statements 23-24/25-37/39-26-36
WGK Germany 3
HazardClass IRRITANT
HS Code 29333999
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Irrit. 2
MSDS Information
ProviderLanguage
N-Carbethoxy-4-piperidone English
SigmaAldrich English
ACROS English
ALFA English
N-Carbethoxy-4-piperidone Usage And Synthesis
Chemical Propertiesclear colorless to pale yellow colored liquid
UsesEthyl 4-oxo-1-piperidinecarboxylate (1-carbethoxy-4-piperidone) was used to prepare tertiary alcohols.
UsesN-Carbethoxy-4-piperidone (Loratadine EP Impurity H) is used in the preparation of 3-hydrazinopyridazines as antihypertensive agents as well as γ-carboline derivatives as potential serotonergic agents. It is also an impurity of Loratadine (L469575).
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