1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester
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1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester
structure -
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CAS No:
65214-82-6
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Formula:
C8H15NO3
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Chemical Name:
1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester
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Synonyms:
1-Piperidinecarboxylic acid,4-hydroxy-,ethyl ester;Ethyl 4-hydroxy-1-piperidinecarboxylate;NSC 71891;4-Oxypiperidine-1-carboxylic acid ethyl ester;1-(Ethoxycarbonyl)piperidin-4-ol
- Categories:
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CAS No:
1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester Basic Attributes
173.21
173.21
265-636-5
TR6D7H9MYK
71891
DTXSID50215521
2933399090
Characteristics
49.8
0.4
pale yellow coloured liquid
1.1166 g/cm3 @ Temp: 20 °C
120-130 °C @ Press: 0.098 Torr
120.2±25.4 °C
1.501
Safety Information
III
9
UN 3082 9/PG 3
2
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R36/37/38:Irritating to eyes, respiratory system and skin .
24/25
LL6480000
N,Xi
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, P501
H302
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Piperidinecarboxylic acid, 4-hydroxy-, ethyl ester Use and Manufacturing
2. In a 500 mL pressure-resistant reactor, 295.3 g (2.50 mol) of diethyl carbonate was added to 86.7 g (0.50 mol) of the product obtained in the previous step, the closed system was heated to 150° C., and the reaction was incubated for 6 hours. The remaining GC raw material was <1. percent, the reaction is completed, the temperature is lowered, diethyl carbonate is distilled off under reduced pressure, the residue is dissolved in ethyl acetate, and 1M hydrochloric acid is added dropwise to adjust the pH to 1-2, stirred for 0.5 hours, and the layers are separated and the aqueous layer is extracted with ethyl acetate once. The layers are combined and decompressed to concentrate the solvent and distilled under reduced pressure to obtain a pale yellow oil product.N-ethoxycarbonyl-4-hydroxypiperidine 58.7 g, yield 67.8percent in two-step reaction, GC content 98.3percent, 2. In a 500 mL pressure-resistant reactor, 295.3 g (2.50 mol) of diethyl carbonate was added to 86.7 g (0.50 mol) of the product obtained in the previous step, the closed system was heated to 150° C., and the reaction was incubated for 6 hours. The remaining GC raw material was <1. percent, the reaction is completed, the temperature is lowered, diethyl carbonate is distilled off under reduced pressure, the residue is dissolved in ethyl acetate, and 1M hydrochloric acid is added dropwise to adjust the pH to 1-2, stirred for 0.5 hours, and the layers are separated and the aqueous layer is extracted with ethyl acetate once. The layers are combined and decompressed to concentrate the solvent and distilled under reduced pressure to obtain a pale yellow oil product.N-ethoxycarbonyl-4-hydroxypiperidine 58.7 g, yield 67.8percent in two-step reaction, GC content 98.3percent,
Computed Properties
Molecular Weight:173.21
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:173.10519334
Monoisotopic Mass:173.10519334
Topological Polar Surface Area:49.8
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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