| Identification | More | [Name]
ETHYL 4-PIPERIDONE-3-CARBOXYLATE HYDROCHLORIDE | [CAS]
4644-61-5 | [Synonyms]
3-CARBETHOXY-4-PIPERIDONE HCL
3-CARBETHOXY-4-PIPERIDONE HYDROCHLORIDE
ETHYL 4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE
ETHYL 4-PIPERIDONE-3-CARBOXYLATE HYDROCHLORIDE
LABOTEST-BB LT00455216
TIMTEC-BB SBB003473
3-Carboethoxy-4-piperidone hydrochloride~Ethyl 4-oxo-piperidine-3-carboxylate hydrochloride
ethyl 4-oxopiperidine-3-carboxylate
(+/-)4-oxo-Nipecoticacid
EthylesterHCl
Ethyl-4-piperidone-3-carboxylateHCl
4-Oxo-3-piperidinecarboxylicacidethylesterhydrochloride
3-carboethoxy-4-piperidone hydrochloride
ethyl 4-oxo-piperidine-3-carboxylate hydrochloride | [EINECS(EC#)]
225-073-8 | [Molecular Formula]
C8H14ClNO3 | [MDL Number]
MFCD00043267 | [Molecular Weight]
207.65 | [MOL File]
4644-61-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to yellow crystalline powder | [Melting point ]
169-175 °C | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [Water Solubility ]
Soluble in water | [form ]
powder to crystal | [color ]
White to Brown | [Detection Methods]
HPLC | [BRN ]
3711279 | [InChI]
InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H | [InChIKey]
RTYXWLMQWSFXNI-UHFFFAOYSA-N | [SMILES]
C1(CNCCC1=O)C(=O)OCC.Cl | [CAS DataBase Reference]
4644-61-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to yellow crystalline powder | [Uses]
Ethyl 4-piperidone-3-carboxylate, HCl | [Synthesis]
General procedure for the synthesis of ethyl piperidin-4-one-3-carboxylate hydrochloride from ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride: in a 50 mL reactor, ethyl N-benzyl-4-oxo-piperidine-3-carboxylate hydrochloride (12 g, 40.29 mmol) and Pd(OH)2/C catalyst (120 mg, 1 wt%) were added. The reaction was stirred for 48 h under 5 bar hydrogen pressure using a dry solvent mixture of dichloromethane and methanol (4:1, v/v) as the reaction medium. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad followed by evaporation of the solvent under reduced pressure to afford 8.3 g of the target product, ethyl piperidin-4-one-3-carboxylate hydrochloride, as a light brown solid in 99% yield. | [References]
[1] Tetrahedron, 1991, vol. 50, # 2, p. 515 - 528
[2] Tetrahedron Letters, 2012, vol. 53, # 26, p. 3296 - 3300
[3] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 1784 - 1796
[4] Archiv der Pharmazie, 2018, vol. 351, # 9,
[5] Patent: CN108586454, 2018, A. Location in patent: Paragraph 0134; 0136; 0137 |
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