1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester
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1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester
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CAS No:
95798-23-5
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Formula:
C13H17NO3
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Chemical Name:
1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester
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Synonyms:
1-Piperidinecarboxylic acid,4-hydroxy-,phenylmethyl ester;N-(Benzyloxycarbonyl)piperidin-4-ol;N-(Benzyloxycarbonyl)-4-hydroxypiperidine;1-(Benzyloxycarbonyl)-4-hydroxypiperidine;1-(Benzyloxycarbonyl)-4-piperidinol;Benzyl 4-hydroxy-1-piperidinecarboxylate;4-Hydroxypiperidine-1-carboxylic acid benzyl ester;Phenylmethyl 4-hydroxy-1-piperidinecarboxylate;4-Hydroxy-1-(benzyloxycarbonyl)piperidine;N-Cbz-piperidin-4-ol;1793058-14-6
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CAS No:
1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester Basic Attributes
235.28
235.28
DTXSID60383265
2933399090
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester Use and Manufacturing
Benzyl chloroformate (8.55 mL ; 60 mmol) was added drop wise over a period of 30 min to a well stirred chilled mixture of piperidin-4-ol (5g ; 49.44 mmol), IN aqueous NaOH (60 mL; 60 mmol) and dioxane (60 mL), . The mixture was stirred for 30 min. at room temperature, treated with water, acidified with conc. HC1 to pH 2 and extracted with EtOAc. The EtOAc layer was washed with water, brine, dried (Na2SO4), concentrated and purified using flash chromatography (silica gel, 50percent CH2Cl2 in PE 60-80°C, 10percent CH3CN + 2percent MeOH in chloroform). Yield, 12. 5g (99percent), oil; MS (CI): 236 (M++1). 218, 192, 174, 91.Example 67a EXAMPLE 20 b. [32.2] To a stirred solution of the product (130 g) obtained in preparation 1 in methanol (500 ml) at 0C., sodium borohydride (25 g) was added and the reaction mixture was stirred at the same temperature for 1h. At the end of this time, pH was adjusted to 6.5 - 7.0 using AcOH and the solvent was removed under reduced pressure. The residue was diluted with EtOAc (400 ml) was washed with water, dried (Na2SO4) and the solvent was removed under reduced pressure to get 131 g (100percent) of the title compound as a syrupy liquid. 1H NMR (CDCl3, 200MHz): d 1.5 (m, 2H), 1.85 (m.2H), 3.15 (m, 2H), 3.9 (m, 3H), 5.11 (s, 2H), 7.35 (bs, 5H).Benzyl chloroformate (4.64 g, 27.199 mmol, 1.101 equiv) was added dropwise into a mixture of piperidin-4-ol hydrochloride (3.4 g, 24.71 mmol, 1.0 equiv), sodium hydroxide (2.17 g, 54.25 mmol, 2.2 equiv), and water (55 mL)/1 , 4-dioxane (55 mL). The resulting solution was stirred for 30 mm at room temperature. The mixture was diluted with water. The pH value of the mixture was adjusted to 2 with iN HC1. The resulting solution was extracted with ethyl acetate, washed with brine, dried over anhydrous sodium sulfate, and concentrated under vacuum. The residue was purified by a silica gel column eluting with ethyl acetate/petroleum ether (1:2). This resulted in the title compound (4.4 g, 76percent) as colorless oil.
Computed Properties
Molecular Weight:235.28
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:235.12084340
Monoisotopic Mass:235.12084340
Topological Polar Surface Area:49.8
Heavy Atom Count:17
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl ester
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