ChemicalBook >> CAS DataBase List >>3-CARBETHOXY-2-PIPERIDONE

3-CARBETHOXY-2-PIPERIDONE

CAS No.
3731-16-6
Chemical Name:
3-CARBETHOXY-2-PIPERIDONE
Synonyms
ETHYL 2-OXOPIPERIDINE-3-CARBOXYLATE;3-CARBETHOXY-2-PIPERIDONE;3-CARBETHOXY PIPERIDONE-2;2-ketonipecot ethyl ester;3-ETHOXYCARBONYL-2-PIPERIDONE;2-oxo-3-piperidinecarboxylate;3-CARBOXYLIC ACID-2-PIPERIDINONE;ETHYL 2-PIPERIDONE-3-CARBOXYLATE;2-ketonipecotic acid ethyl ester;3-Ethoxycarbonyl-2-piperidone>
CBNumber:
CB3296200
Molecular Formula:
C8H13NO3
Molecular Weight:
171.19
MDL Number:
MFCD00006038
MOL File:
3731-16-6.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-04-24 14:58:35
Product description Number Pack Size Price
Ethyl 2-oxo-3-piperidinecarboxylate 99% C5505 25g $595
3-Ethoxycarbonyl-2-piperidone >98.0%(HPLC) E0742 5g $30
3-Ethoxycarbonyl-2-piperidone >98.0%(HPLC) E0742 25g $99
3-Carbethoxy-2-piperidone C178013 250mg $55
3-Carbethoxy-2-piperidone C178013 1g $75
More product size

3-CARBETHOXY-2-PIPERIDONE Properties

Melting point 80-82 °C (lit.)
Boiling point 205-215 °C(Press: 12 Torr)
Density 1.118±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility soluble in Methanol
form powder to crystal
pka 15.42±0.20(Predicted)
color White to Almost white
BRN 6212
InChI InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey DUMNOWYWTAYLJN-UHFFFAOYSA-N
SMILES N1CCCC(C(OCC)=O)C1=O
CAS DataBase Reference 3731-16-6(CAS DataBase Reference)
UNSPSC Code 12352100

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  22-24/25-36-26
WGK Germany  3
HazardClass  IRRITANT
HS Code  29337900
Storage Class 13 - Non Combustible Solids

3-CARBETHOXY-2-PIPERIDONE price More Price(25)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich C5505 Ethyl 2-oxo-3-piperidinecarboxylate 99% 3731-16-6 25g $595 2023-06-20 Buy
TCI Chemical E0742 3-Ethoxycarbonyl-2-piperidone >98.0%(HPLC) 3731-16-6 5g $30 2026-04-30 Buy
TCI Chemical E0742 3-Ethoxycarbonyl-2-piperidone >98.0%(HPLC) 3731-16-6 25g $99 2026-04-30 Buy
TRC C178013 3-Carbethoxy-2-piperidone 3731-16-6 250mg $55 2021-12-16 Buy
TRC C178013 3-Carbethoxy-2-piperidone 3731-16-6 1g $75 2021-12-16 Buy
Product number Packaging Price Buy
C5505 25g $595 Buy
E0742 5g $30 Buy
E0742 25g $99 Buy
C178013 250mg $55 Buy
C178013 1g $75 Buy

3-CARBETHOXY-2-PIPERIDONE Chemical Properties,Uses,Production

Synthesis

DIETHYL 2-(2-CYANOETHYL)MALONATE

17216-62-5

3-CARBETHOXY-2-PIPERIDONE

3731-16-6

General procedure for the synthesis of ethyl 2-oxo-3-piperidine carboxylate from diethyl 2-cyanoethylmalonate: 241 kg of diethyl 2-cyanoethylmalonate, 1200 kg of isopropanol and 28 kg of Raney Co catalyst were added to a 2 L stainless steel autoclave. After replacing the air in the autoclave with hydrogen, the hydrogen pressure was adjusted to 25 kg/cm2, stirring was initiated, and the temperature was slowly raised to 70 °C by jacketed steam. Subsequently, oxygen was introduced to trigger the reaction exotherm, at which time cooling water was turned on to control the reaction temperature. The reaction temperature was maintained in the range of 90-100°C, and the hydrogen inlet was adjusted to stabilize the system pressure at 35-40 kg/cm2. Hydrogen supply was stopped after 4.5 h, and the reaction was continued at 100°C and 35 kg/cm2 for 1 h. After completion of the reaction, cooling water was used to cool the reaction. Upon completion of the reaction, the material in the kettle was cooled to 44°C with cooling water, the residual hydrogen pressure was released, and the material was transferred to a filter with nitrogen. The Raney Co catalyst was recovered by filtration under nitrogen protection. The filtrate was transferred to a 2000 L glass lined distillation crystallization kettle and distilled with heat and stirring to remove the isopropanol solvent. Subsequently, 660 kg of petroleum ether was added with continuous stirring for 0.5 hours. During slow cooling of the crystallization process, intermittent stirring was used to prevent agglomeration of the product and to facilitate subsequent drainage from the bottom of the kettle. After complete crystallization, the product was centrifuged and dried to give 184 kg of white solid product. The purity of the product was 99.6% by HPLC, and the yield of the hydrogenation reaction was 96.4%. The total yield of the two-step reaction was 79.2%.

References

[1] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 17, p. 2055 - 2062
[2] Journal of the American Chemical Society, 1949, vol. 71, p. 2818
[3] Yakugaku Zasshi, 1958, vol. 78, p. 853,855
[4] Chem.Abstr., 1959, p. 332

105-53-3
3731-16-6
Synthesis of 3-CARBETHOXY-2-PIPERIDONE from Diethyl malonate
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View Lastest Price from 3-CARBETHOXY-2-PIPERIDONE manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-CARBETHOXY-2-PIPERIDONE pictures 2024-07-12 3-CARBETHOXY-2-PIPERIDONE
3731-16-6
US $1.00 / KG 1KG 99% 20T Shaanxi Dideu Medichem Co. Ltd
Denatonium Benzoate pictures 2024-07-12 Denatonium Benzoate
3731-16-6
US $1.00 / KG 1KG 99% 20T Shaanxi Dideu Medichem Co. Ltd
3-CARBETHOXY-2-PIPERIDONE pictures 2019-07-06 3-CARBETHOXY-2-PIPERIDONE
3731-16-6
US $1.00 / kg 1kg 98% 200kg Career Henan Chemical Co
ETHYL 2-PIPERIDONE-3-CARBOXYLATE ETHYL 2-OXO-3-PIPERIDINECARBOXYLATE ETHYL 2-OXOPIPERIDINE-3-CARBOXYLATE 3-CARBETHOXY PIPERIDONE-2 3-CARBETHOXY-2-PIPERIDONE 3-CARBOXYLIC ACID-2-PIPERIDINONE 3-CARBOXYLICACID-2-PIPERIDINONE ETHYL ESTER 3-ETHOXYCARBONYL-2-PIPERIDONE 3-Piperidinecarboxylic acid, 2-oxo-, ethyl ester Nipecotic acid, 2-oxo-, ethyl ester 2-Piperidine-3-carboxylic acid ethyl ester 2-OXOPIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER 2-PIPERIDONE-3-CARBOXYLIC ACID ETHYL ESTER 3-Carbethoxy-2-piperidone, 3-Ethoxycarbonyl-2-piperidone, Ethyl 2-piperidone-3-carboxylate 2-Oxo-3-piperidinecarboxylic acid ethyl ester 2-ketonipecot ethyl ester 2-oxo-3-piperidinecarboxylate Ethyl 2-Piperidone-3-carboxylate Ethyl 2-Oxo-3-piperidinecarboxylate 2-Oxo-3-piperidinecarboxylic Acid Ethyl Ester 2-ketonipecotic acid ethyl ester Ethyl 2-oxo-3-piperidinecarboxylate 99% 3-Ethoxycarbonyl-2-piperidone> 3731-16-6 Building Blocks Heterocyclic Building Blocks Piperidones Miscellaneous