(5S)-5-(Hydroxymethyl)-2-pyrrolidinone
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(5S)-5-(Hydroxymethyl)-2-pyrrolidinone
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CAS No:
17342-08-4
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Formula:
C5H9NO2
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Chemical Name:
(5S)-5-(Hydroxymethyl)-2-pyrrolidinone
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Synonyms:
2-Pyrrolidinone,5-(hydroxymethyl)-,(5S)-;2-Pyrrolidinone,5-(hydroxymethyl)-,(S)-;(5S)-5-(Hydroxymethyl)-2-pyrrolidinone;(+)-5-(Hydroxymethyl)-2-pyrrolidinone;(S)-5-(Hydroxymethyl)-2-pyrrolidone;(S)-Pyroglutaminol;(S)-5-(Hydroxymethyl)-2-pyrrolidinone;(S)-2-(Hydroxymethyl)pyrrolidin-5-one;(S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone;(5S)-5-(hydroxymethyl)-2-pyrrolidinone;(2S)-2-(Hydroxymethyl)-5-oxopyrrolidine;2-Pyrrolidinone 5-(hydroxymethyl)-,(5S)-;2209874-20-2
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CAS No:
(5S)-5-(Hydroxymethyl)-2-pyrrolidinone Basic Attributes
115.13
115.13
4657914
-0
DTXSID80349207
29051990
Characteristics
49.3
-1
White to light yellow Crystals or Crystalline Powder
1.1808 (rough estimate)
86-87 °C
147-149 °C @ Press: 0.06 Torr
147-149°C/0.06m
31 ° (C=5, EtOH)
Soluble in water.
Store at 0-5°C
30 º (C=2, ETOH)
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
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 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(5S)-5-(Hydroxymethyl)-2-pyrrolidinone Use and Manufacturing
Compound III synthesis of the specific process:LiCl (18 mmol) was added to the reaction flask and dissolved in dry tetrahydrofuran solution (15 ml). The temperature was controlled at -15~-10 ° C. Potassium borohydride (18 mmol) was added into the reaction system and stirred for 30 min. To another reaction flask was added compound II (9mmo 1), which was dissolved in dry tetrahydrofuran solution (20ml), cooled to -15 ~ -10 ° C, To the system was slowly added dropwise the above reaction solution (obtained in the previous paragraph), the addition was completed, slowly raised to room temperature for 2h.TLC point plate, the raw material completely reacted.Saturated ammonium chloride solution (5ml) was slowly added dropwise to the system, stirred for 30min, extracted with ethyl acetate (30ml * 3), the organic phases were combined, the organic phase was dried over anhydrous sodium sulfate, filtered with suction and the filtrate was concentrated under reduced pressure.Compound III (8.55 mmol) was obtained in 95percent yield.NaBHPyroglutamic acid methyl ester in anhydrous ethanol, sodium borohydride and a feeding ratio of 1 mol: 100 ml: (2-3) mol, 290 g of pyroglutamic acid ethyl ester is dissolved in 3000 mL of absolute ethanol., the brine ice bath cooling to 0 – 5° c. was slowly added 165 g of sodium borohydride, after completion of the addition the reaction was stirred at this temperature and the reaction progress was monitored by TLC, after the completion of the reaction was slowly added 10 ml of water, neutralized with hydrochloric acid to a pH of 6 -6 5, Concentrating under reduced pressure to obtain a white flaky crystals, adding 3000 ml of anhydrous ethanol, stirring to dissolve, filtered, and the filtrate was concentrated under reduced pressure, to obtain 232 g of an yellow oil, adding 1000 ml of acetone, the solution is stored overnight, filtered, concentrated to dryness to obtain a white crystalline slightly cooling, a filter and washed with cold acetone to obtain a white crystal, in a low-temperature vacuum drying, pyroglutamic acid alcohol 179 g, 78percent yield (to pyroglutamic acid ethyl ester feeding meter), a purity of not less than 98.0percent (HPLC).NaBH(S) -5- oxo-pyrrolidine-2-carboxylate (16g, 0.112mol) was dissolved 130mL CTo a cooled solution of L-pyroglutamic acid (7) (6.0 g, 41.9 mmol) in dry MeOH (80 mL), was added SOCl
Pharmaceutical intermediates, also used in organic synthesis
Computed Properties
Molecular Weight:115.13
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:115.063328530
Monoisotopic Mass:115.063328530
Topological Polar Surface Area:49.3
Heavy Atom Count:8
Complexity:103
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(5S)-5-(Hydroxymethyl)-2-pyrrolidinone
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