Identification | More | [Name]
2-Piperazinecarboxylic acid dihydrochloride | [CAS]
2762-32-5 | [Synonyms]
2-PIPERAZINECARBOXYLIC ACID DIHYDROCHLORIDE PIPERAZIN-2-CARBOXYLIC ACID DIHYDROCHLORIDE (+/-)-PIPERAZINE-2-CARBOXYLIC ACID 2HCL PIPERAZINE-2-CARBOXYLIC ACID 2HCL PIPERAZINE-2-CARBOXYLIC ACID DIHYDROCHLORIDE PRZCA-2HCL TIMTEC-BB SBB003518 2-Piperazinecarboxylic acid dihydrochloride Piperazine-2-carboxylic acid dihydrochloride | [Molecular Formula]
C5H12Cl2N2O2 | [MDL Number]
MFCD00044803 | [Molecular Weight]
203.07 | [MOL File]
2762-32-5.mol |
Chemical Properties | Back Directory | [Melting point ]
265 °C (dec.)(lit.) | [Boiling point ]
313.6±37.0 °C(Predicted) | [density ]
1.174 | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
1.90±0.20(Predicted) | [Appearance]
White to yellow Solid | [Optical Rotation]
Consistent with structure | [InChI]
InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9) | [InChIKey]
JSSXHAMIXJGYCS-UHFFFAOYSA-N | [SMILES]
N1CCNCC1C(O)=O | [CAS DataBase Reference]
2762-32-5(CAS DataBase Reference) |
Safety Data | Back Directory | [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
| [HS Code ]
2933599590 |
Hazard Information | Back Directory | [Uses]
Piperazine-2-carboxylic acid is an important organic compound used as a basic structural component of pharmaceutical intermediates. Studies have shown that Piperazine-2-carboxylic acid derivatives are a potential multi-targeted ligands (MTDLs) anti-Alzheimer's disease (AD) active ingredient. | [Synthesis]
Step 1: Preparation of piperazine-2-carboxylic acid: pyrazine-2-carboxylic acid (102.7 g, 0.827 mol) was dissolved in water (600 mL), sodium hydroxide (66 g, 1.65 mol) and 20% palladium/carbon catalyst (5.0 g) were added. The hydrogenation reaction was carried out under hydrogen atmosphere for 15 hours. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated. Concentrated hydrochloric acid was added to the concentrate and a white precipitate precipitated. The solid was washed with cold water, collected by filtration and dried under vacuum to give 137.2 g of piperazine-2-carboxylic acid hydrochloride (99.6% yield). Mass spectrum (MS): m/z 131 (corresponding to C5H10N2O2, [M+H]+). | [References]
[1] Tetrahedron Letters, 1989, vol. 30, # 39, p. 5193 - 5196 [2] Bioorganic and Medicinal Chemistry Letters, 1999, vol. 9, # 8, p. 1121 - 1126 [3] Patent: US6251919, 2001, B1 |
|
|