1-Benzyl-4-carboethoxy-3-piperidone hydrochloride

1-Benzyl-4-carboethoxy-3-piperidone hydrochloride - Names and Identifiers

Name	Ethyl N-benzyl-3-oxo-4-piperidine-carboxylate hydrochloride
Synonyms	1-benzyl-4-carboethoxy-3-piperidone.HCl N-BENZYL-3-OXO-4-PIPERIDINECARBOXYLATE HCL N-Benzyl-4-carbethoxy-3-piperidone hydrochloride N-BENZYL-4-CARBETHOXY-3-PIPERIDONE HYDROCHLORIDE 1-Benzyl-4-carboethoxy-3-piperidone hydrochloride (4R)-1-benzyl-4-(ethoxycarbonyl)-3-oxopiperidinium (4S)-1-benzyl-4-(ethoxycarbonyl)-3-oxopiperidinium 1-BENZYL-4-ETHOXYCARBONYL-3-PIPERIDONE HYDROCHLORIDE 1-benzyl-4-ethoxycarbonyl-3-piperidone hydrochloride N-Benzyl-3-oxo-4-piperidinecarboxylate hydrochloride Ethyl N-benzylpiperid-3-one-4-carboxylate hydrochloride Ethyl 1-benzyl-3-piperidone-4-carboxylate hydrochloride ethyl N-benzyl-3-oxopiperidine-4-carboxylate hydrochloride N-Benzyl-3-oxo-piperidine-4-ethylcarboxylate hydrochloride ethyl 1-benzyl-3-oxo-piperidine-4-carboxylate hydrochloride Ethyl N-benzyl-3-oxo-4-piperidine-carboxylate hydrochloride 1-benzyl-3-oxopiperidine-4-carboxylic acid ethyl ester Hydrochloride 3-Oxo-1-benzyl-4-piperidinecarboxylic acid ethyl ester hydrochloride 1-Benzyl-4-carboethoxy-3-piperidone hydrochloride~Ethyl 1-benzyl-3-piperidone-4-carboxylate hydrochloride
CAS	52763-21-0
EINECS	258-162-5
InChI	InChI=1/C15H19NO3/c1-2-19-15(18)13-8-9-16(11-14(13)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/p+1/t13-/m1/s1
InChIKey	UQOMEAWPKSISII-UHFFFAOYSA-N

1-Benzyl-4-carboethoxy-3-piperidone hydrochloride - Physico-chemical Properties

Molecular Formula	C15H20ClNO3
Molar Mass	297.78
Melting Point	162°C (dec.)(lit.)
Boling Point	368.6°C at 760 mmHg
Flash Point	176.7°C
Solubility	NH4OH: soluble25mg/mL, clear, yellow ((Methanol))
Vapor Presure	1.26E-05mmHg at 25°C
Appearance	White to Brown Crystalline Powder
Color	White to brown
BRN	3749159
Storage Condition	Inert atmosphere,Room Temperature
Sensitive	Easily absorbing moisture
MDL	MFCD00012792

1-Benzyl-4-carboethoxy-3-piperidone hydrochloride - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection
WGK Germany	3
HS Code	29339900

1-Benzyl-4-carboethoxy-3-piperidone hydrochloride - Reference Information

Use

N-benzyl -3-oxo-piperidin-4-carboxylate ethyl ester can be hydrogenated because of its benzyl group, and can pass alkylation, Acylation and other reactions combine different groups, the carbonyl group at its 3 position is also an important reactive point, which can undergo addition, reduction and other reactions, so, it is often used in the synthesis of such drugs.

preparation method

the preparation method of N-benzyl -3-oxo-piperidine -4-ethyl carboxylate hydrochloride is as follows: 3-oxo-piperidine -4-ethyl carboxylate is dissolved in 115ml of 10% sodium bicarbonate aqueous solution, cooled to -4~0 ℃, benzyl chloride is dissolved in 35.0ml of acetone dropwise into the system, after dropping, stir in ice bath for 30min, then stir at room temperature for 2.0h. TLC is used to monitor the reaction progress. After the reaction is completed, 400ml of water is poured into water, ether is extracted twice, cooled and concentrated hydrochloric acid is used to adjust pH2 or so, a large amount of white solid is precipitated, 50ml ethyl acetate is used to extract three times, anhydrous magnesium sulfate is dried, the solvent is removed by vacuum distillation, and petroleum ether is used to precipitate to obtain brown crystalline powder.

Last Update：2024-04-09 21:11:58