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1-(Ethoxycarbonyl)-4-piperidone

1-(Ethoxycarbonyl)-4-piperidone structure

CAS No:
29976-53-2
Formula:
C8H13NO3
Chemical Name:
1-(Ethoxycarbonyl)-4-piperidone
Synonyms:
1-Piperidinecarboxylic acid,4-oxo-,ethyl ester;Ethyl 4-oxo-1-piperidinecarboxylate;1-Carbethoxy-4-piperidone;1-Ethoxycarbonyl-4-oxopiperidine;1-(Ethoxycarbonyl)-4-piperidone;4-Oxo-1-piperidinecarboxylic acid ethyl ester;1-Ethoxycarbonyl-4-piperidinone;N-Ethoxycarbonyl-4-piperidinone;N-(Ethoxycarbonyl)-4-piperidone;1-(Carboethoxy)-4-piperidone;NSC 139022;N-Carboethoxy-4-piperidone;1-(Carboethoxy)-4-piperidinone;N-Carbethoxy-4-piperidone;N-Carbethoxy-4-piperidinone;1-Carbethoxypiperidin-4-one
Categories:
Pharmaceutical Intermediates > Blood Products

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Description

clear colorless to pale yellow colored liquid

1-(Ethoxycarbonyl)-4-piperidone Basic Attributes

Molecular Weight：

171.19

Exact Mass：

171.19

BRN：

640967

EC Number：

249-984-5

UNII：

7H5JX1S259

NSC Number：

139022

DSSTox ID：

DTXSID0057704

HScode：

29333999

Characteristics

PSA：

46.6

XLogP3：

-0.1

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.2±0.1 g/cm3

Boiling Point：

93-94 °C @ Press: 1 Torr

Flash Point：

190 °F

Refractive Index：

1.483

Water Solubility：

H2O: slightly soluble

Storage Conditions：

2-8°C

Vapor Pressure：

0.00574mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/38-22-36/37/38-20/21/22

safety instructions：

23-24/25-37/39-26-36

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

GHS Classification：

|Warning|H302 (71.43%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 11 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-(Ethoxycarbonyl)-4-piperidone Use and Manufacturing

Methods of Manufacturing

Intermediate for pentafluridol.

Uses

N-Carbethoxy-4-piperidone is used in the preparation of 3-hydrazinopyridazines as antihypertensive agents as well as γ-carboline derivatives as potential serotonergic agents. N-Carbethoxy-4-piperidone is also an Impurity of Loratadine (L469575).

Computed Properties

Molecular Weight:171.19
XLogP3:-0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:171.08954328
Monoisotopic Mass:171.08954328
Topological Polar Surface Area:46.6
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 1-(Ethoxycarbonyl)-4-piperidone

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Guide of 1-(Ethoxycarbonyl)-4-piperidone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

1-(Ethoxycarbonyl)-4-piperidone

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