(S)-1-Boc-3-hydroxymethyl-piperazine
- CAS NO.:314741-40-7
- Empirical Formula: C10H20N2O3
- Molecular Weight: 216.28
- MDL number: MFCD05863889
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-16 10:47:52
What is (S)-1-Boc-3-hydroxymethyl-piperazine?
Definition
(S)-1-Boc-3-hydroxymethyl-piperazine is also known as (S)-4-N-Boc-2-(hydroxymethyl)piperazine or (S)-tert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylate.
The Uses of (S)-1-Boc-3-hydroxymethyl-piperazine
(S)-4-N-Boc-2-(hydroxymethyl)piperazine is a useful research chemical.
Synthesis
To synthesize (S)-1-Boc-3-hydroxymethyl-piperazine, a stirred suspension of (S)-piperazine-l,3-dicarboxylic acid l-tert-buty ester (5.00 g, 21.7 mmol) in THF (40 mL) was prepared. Slowly, 1.0 M borane-THF complex solution (32.6 mL, 32.6 mmol) was added to the suspension. The reaction mixture was heated to 90 ℃ and stirred under reflux for 2 h. Before further proceeding, the mixture was removed from heat and an additional 1.5 equivalents of 1.0 M borane-THF complex solution (32.6 mL, 32.6 mmol) was added. The reaction was then reheated and stirred under reflux for 2 h. Subsequently, the reaction mixture was cooled to 0 ℃ and quenched by slowly adding methanol. The resulting mixture was concentrated under reduced pressure, yielding a white solid. This solid was dissolved in THF (30 mL) and cooled to 0 ℃. Slowly, a 2.0 M solution of lithium aluminum hydride (LiAlH4) in THF (27 mL, 54.0 mmol) was added. The reaction was heated to 90 ℃ and stirred under reflux for 2 h. Another portion of 2.0 M LiAlH4 was added, and the reaction mixture was stirred under reflux for 4 hours, followed by overnight stirring at RT. The reaction mixture was then cooled to 0 ℃ and quenched by slowly adding 1.0 M aqueous sodium hydroxide (NaOH) solution until the exothermic reaction subsided. The product (S)-1-Boc-3-hydroxymethyl-piperazine was obtained after purification.
Properties of (S)-1-Boc-3-hydroxymethyl-piperazine
Boiling point: | 322.9±22.0 °C(Predicted) |
Density | 1.085±0.06 g/cm3(Predicted) |
storage temp. | 2-8°C(protect from light) |
pka | 14.97±0.10(Predicted) |
CAS DataBase Reference | 314741-40-7 |
Safety information for (S)-1-Boc-3-hydroxymethyl-piperazine
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H225:Flammable liquids H320:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for (S)-1-Boc-3-hydroxymethyl-piperazine
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