Product Description of Tert-Butyl 1-Piperazinecarboxylate CAS#57260-71-6
Tert-Butyl 1-piperazinecarboxylate (1-Boc-piperazine) is a white to pale-yellow crystalline solid, with molecular formula C₉H₁₈N₂O₂ and molecular weight of 186.25. Its melting point ranges from 43-47 °C, and the predicted density is 1.030±0.06 g/cm³.
This compound dissolves well in common organic solvents such as methanol, chloroform and DMSO, while it has low solubility in water. Protected by the Boc group, it shows good chemical stability under proper storage conditions. It serves as a widely-used nitrogen-protected piperazine building-block for pharmaceutical intermediate synthesis.
Tert-Butyl 1-piperazinecarboxylate Chemical Properties
| Melting point | 43–47 °C (lit.) |
| Boiling point | 98–100 °C (15 mmHg)；258 °C (760 mmHg, calculated) |
| density | 1.030 g/cm³ (25℃, predicted) |
| refractive index | n₂₀/D 1.467 (calculated) |
| Fp（Flash Point） | 113 ℃ / 230 °F |
| storage temp. | 2–8 °C, inert atmosphere, dark sealed container |
| solubility | Soluble in methanol, ethyl acetate, DMSO, chloroform; slightly soluble in water |
| form | Low melting crystalline mass / crystalline powder |
| pka | 8.45±0.10 (predicted, piperazine secondary amine) |
| Specific Gravity | 1.03 (25℃) |
| color | White to pale yellow |
| Water Solubility | Slightly soluble in water |
| BRN | 879985 |
| CAS DataBase Reference | 57260-71-6 |
| NIST Chemistry Reference | T-butyl 1-piperaziencarboxylate (CAS 57260-71-6) |
| EPA Substance Registry System | 57260-71-6 |
| Hazard Codes | Xi (Irritant) |
| Risk Statements | R36/37/38: Irritating to eyes, respiratory system and skin |
| Safety Statements | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice |
| RIDADR | Non-dangerous goods, no UN number |
| WGK Germany | 3 (Water hazard class 3) |
| RTECS | GV8356000 |
| Hazard Note | Irritant, air-sensitive |
| TSCA | Listed on TSCA Inventory |
| HazardClass | Not classified as dangerous goods for transport |
| PackingGroup | N/A |
| HS Code | 2933599090 |
Product Application of Tert-Butyl 1-Piperazinecarboxylate CAS#57260-71-6
Tert-butyl 1-piperazinecarboxylate (1-Boc-piperazine) is a highly valuable protected heterocyclic building block for organic and pharmaceutical synthesis. The Boc protecting group enables selective functionalization on the remaining free nitrogen atom, avoiding undesired side-reactions during multi-step synthetic workflows.
It is widely used to manufacture various piperazine-containing drug intermediates targeting anticancer, central nervous system, and anti-infective candidates. It can participate in Buchwald-Hartwig coupling and other condensation reactions to construct complex nitrogen-heterocyclic skeletons, and also finds applications in peptide chemistry and fine-chemical research.
