Introduction：Basic information about N-Carbethoxy-4-piperidone CAS 29976-53-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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;Boronic Acid;Heterocyclic Compounds;Piperidine;(intermediate of loratadine);29976-53-2 |
| Mol File: | 29976-53-2.mol |
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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) |
| form | Liquid |
| pka | -1.59±0.20(Predicted) |
| color | Clear colorless to pale yellow |
| PH | 4.6 (H2O, 20℃)(saturated solution) |
| Water Solubility | slightly soluble |
| BRN | 640967 |
| InChI | 1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3 |
| InChIKey | LUBGFMZTGFXIIN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)N1CCC(=O)CC1 |
| LogP | 0 at 20℃ and pH6.5-6.7 |
| CAS DataBase Reference | 29976-53-2(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 Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 |
N-Carbethoxy-4-piperidone Usage And Synthesis
| Chemical Properties | clear colorless to pale yellow colored liquid |
| Uses | Ethyl 4-oxo-1-piperidinecarboxylate (1-carbethoxy-4-piperidone) was used to prepare tertiary alcohols. |
| Uses | N-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). |
N-Carbethoxy-4-piperidone Preparation Products And Raw materials
| Raw materials | Penfluridol |
| Preparation Products | 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE-->N-phenylpiperidin-4-amine-->4-(4-FLUORO-PHENYL)-PIPERIDIN-4-OL HYDROCHLORIDE-->Ethyl 4-amino-1-piperidinecarboxylate-->AKOS USSH-4110751-->1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-methoxy-, ethyl ester-->ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate-->1-Piperidinecarboxylicacid,4-amino-4-cyano-,ethylester(9CI)-->ETHYL 2-AMINO-3-CARBAMOYL-4,7-DIHYDRO-5H-THIENO[2,3-C]-PYRIDINE-6-CARBOXYLATE-->ethyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate-->ethyl 4-(2,3-difluoro-6-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4-hydroxypiperidine-1-carboxylate-->Ethyl 4-hydroxypiperidine-1-carboxylate |
