| Identification | More | [Name]
(R)-3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | [CAS]
278788-66-2 | [Synonyms]
(R)-3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(R)-4-N-BOC-2-HYDROXYMETHYL-PIPERAZINE
(R)-1-Boc-3-hydroxymethyl-piperazine
(R)-tert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylate | [Molecular Formula]
C10H20N2O3 | [MDL Number]
MFCD05863888 | [Molecular Weight]
216.28 | [MOL File]
278788-66-2.mol |
| Chemical Properties | Back Directory | [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 | [InChIKey]
NSILYQWHARROMG-MRVPVSSYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCN[C@@H](CO)C1 | [CAS DataBase Reference]
278788-66-2(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
(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.
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