| Identification | More | [Name]
1-Boc-3-oxopiperazine | [CAS]
76003-29-7 | [Synonyms]
1-BOC-3-OXOPIPERAZINE
2-OXO-4-(TERT-BUTOXYCARBONYL)PIPERAZINE
3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-BOC-PIPERAZINONE
4-N-BOC-2-OXO-PIPERAZINE
4-N-BOC-PIPERAZIN-2-ONE
4-(TERT-BUTYLOXYCARBONYL)PIPERAZIN-2-ONE
N-BOC-3-OXOPIPERAZINE
N-BOC-PIPERAZIN-3-ONE
TERT-BUTYL 3-OXOPIPERAZINE-1-CARBOXYLATE
tert-Butyl-3-oxo-1-piperazine carboxylate
3-Oxopiperazine, N1-BOC protected
Piperazin-3-one, N1-BOC protected
4-Boc-piperazinone98%
1-BOC-3-OXOPIPERAZINE, PURISS, 98%
Butyl-3-oxo-1-Piperazinecarbox
4-BOC-PIPERAZINONE 97%
N-BOC-2-OXOPIPERAZINE | [Molecular Formula]
C9H16N2O3 | [MDL Number]
MFCD02181069 | [Molecular Weight]
200.23 | [MOL File]
76003-29-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
156-160 °C(lit.)
| [Boiling point ]
359.1±35.0 °C(Predicted) | [density ]
1.129±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
15.01±0.20(Predicted) | [color ]
White to off-white | [Detection Methods]
HPLC | [InChI]
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12) | [InChIKey]
FCMLWBBLOASUSO-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCNC(=O)C1 | [CAS DataBase Reference]
76003-29-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to off-white solid | [Uses]
4-Boc-2-oxopiperazine is used in the synthesis of renin inhibitors. Also used in the synthesis of isoindoline inhibitors of dipeptidyl peptidases. | [Synthesis]
GENERAL STEPS: Piperazin-2-one (1.037 g, 10.4 mmol) was dissolved in 52 mL of dichloromethane, followed by the addition of di-tert-butyl dicarbonate (Boc2O, 2.5 g, 11.4 mmol). The reaction mixture was stirred at room temperature for 3 h before complete consumption of piperazin-2-one was confirmed by thin layer chromatography (TLC) monitoring. Upon completion of the reaction, the reaction mixture was diluted with dichloromethane and the organic layer was washed with deionized water. The organic layer was separated, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford 1-Boc-3-piperazinone (product 33) in quantitative yield as a white solid. The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3): δ 1.48 (s, 9H), 3.35-3.44 (m, 2H), 3.64 (t, J = 5 Hz, 2H), 4.10 (s, 2H), 6.41 (br s, 1H). | [References]
[1] Patent: WO2005/117904, 2005, A2. Location in patent: Page/Page column 407
[2] Patent: WO2011/41713, 2011, A2. Location in patent: Page/Page column 147-148
[3] European Journal of Medicinal Chemistry, 2015, vol. 101, p. 218 - 235
[4] Patent: WO2006/72350, 2006, A1. Location in patent: Page/Page column 37
[5] Patent: WO2006/72353, 2006, A1. Location in patent: Page/Page column 30 |
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