(R)-1-BOC-3-(Hydroxymethyl)piperazine
- CAS NO.:278788-66-2
- Empirical Formula: C10H20N2O3
- Molecular Weight: 216.28
- MDL number: MFCD05863888
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-12 15:32:57
What is (R)-1-BOC-3-(Hydroxymethyl)piperazine?
The Uses of (R)-1-BOC-3-(Hydroxymethyl)piperazine
(R)-1-Boc-3-hydroxymethylpiperazine is a used as a building block for the preparation of PI3K inhibitors for rheumatoid arthritis treatment,benzoxaborole derivatives as antimalarial agents and anti-tuberculosis agents.
Synthesis
1,4-bis-Boc-2-hydroxymethylpiperazine (13.9 kg) and 95% ethanol (30 kg) were added to the reactor, followed by the addition of an aqueous solution (water 21 kg) of configured sodium hydroxide (3.5 kg). The reaction mixture was then heated to reflux. Once the reaction was completed, ethanol was concentrated under reduced pressure. Subsequently, 30 kg of dichloromethane was added and the mixture was separated into liquid and aqueous phases. The aqueous phase was extracted three times with 3 × 20 kg of dichloromethane, and the organic phases were combined. The resulting solution was washed once with 40 kg of a 15% aqueous sodium chloride solution and dried with anhydrous sodium sulfate. Further purification was carried out to obtain (R)-1-BOC-3-(Hydroxymethyl)piperazine.
Properties of (R)-1-BOC-3-(Hydroxymethyl)piperazine
Melting point: | 68-70°C |
Boiling point: | 322.9±22.0 °C(Predicted) |
Density | 1.085±0.06 g/cm3(Predicted) |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | Chloroform (Slightly), Methanol (Slightly) |
form | Solid |
pka | 14.97±0.10(Predicted) |
color | White to Off-White |
InChI | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m1/s1 |
CAS DataBase Reference | 278788-66-2(CAS DataBase Reference) |
Safety information for (R)-1-BOC-3-(Hydroxymethyl)piperazine
Signal word | Danger |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for (R)-1-BOC-3-(Hydroxymethyl)piperazine
InChIKey | NSILYQWHARROMG-MRVPVSSYSA-N |
SMILES | N1(C(OC(C)(C)C)=O)CCN[C@@H](CO)C1 |
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