| Identification | More | [Name]
(4-METHYL-PIPERAZIN-1-YL)-ACETIC ACID | [CAS]
54699-92-2 | [Synonyms]
2-(4-METHYLPIPERAZIN-1-YL)ACETIC ACID
4-METHYL-1-PIPERAZINE ACETIC ACID
(4-METHYL-1-PIPERAZINYL)ACETIC ACID
(4-METHYL-PIPERAZIN-1-YL)-ACETIC ACID
4-METHYLPIPERAZINE-1-ACETIC ACID
4-METHYL PIPERAZINE-ACETIC ACID
(4-METHYLPIPERAZINO)ACETIC ACID
AKOS BB-5221
AKOS BBS-00002665
(4-Methylpiperazino)acetic acid
4-Methylpiperazine-1-acetic acid
1-Piperazineaceticacid,4-methyl-(9CI)
(4-METHYL-PIPERAZIN-1-YL)-ACETIC ACID >98% | [Molecular Formula]
C7H14N2O2 | [MDL Number]
MFCD03444554 | [Molecular Weight]
158.2 | [MOL File]
54699-92-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
130-133°C | [Boiling point ]
278℃ | [density ]
1.123 | [Fp ]
122℃ | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
1.85±0.10(Predicted) | [color ]
Off-white | [InChI]
InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11) | [InChIKey]
JCXZKUZXVQKENT-UHFFFAOYSA-N | [SMILES]
N1(CC(O)=O)CCN(C)CC1 | [CAS DataBase Reference]
54699-92-2(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HazardClass ]
IRRITANT | [HS Code ]
2933599590 |
| Hazard Information | Back Directory | [Uses]
(Carboxymethyl)-N''-methylpiperazine acts as a potential antibacterial compound, due to its nocathiacin analog. | [Uses]
(Carboxymethyl)-N'-methylpiperazine acts as a potential antibacterial compound, due to its nocathiacin analog. | [Synthesis]
b) Synthesis of 4-methyl-1-piperazinylacetic acid
Ethyl (4-methyl-1-piperazinyl) acetate (1.3 g, 6.50 mmol, 1.0 eq.) was dissolved in 8N hydrochloric acid and the reaction was stirred at 95°C for 16 hours. After completion of the reaction, the reaction solution was concentrated by vacuum rotary evaporator. The remaining hydrochloric acid was neutralized with sodium bicarbonate solution and subsequently extracted with ethyl acetate (3 x 10 ml). The organic phases were combined, washed sequentially with water and saturated saline and dried over anhydrous sodium sulfate. The organic solvent was removed by distillation under reduced pressure to afford the target product 4-methyl-1-piperazineacetic acid in 54.5% yield (0.6 g).LC-MS (ESI) analysis: theoretical mass: 158.0; measured mass: 159.1 [M + H]+ (retention time: 0.102 min). | [References]
[1] Patent: WO2013/53983, 2013, A1. Location in patent: Page/Page column 38
[2] Journal of Medicinal Chemistry, 2000, vol. 43, # 8, p. 1489 - 1494
[3] Patent: EP2107054, 2009, A1. Location in patent: Page/Page column 26 |
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