| Identification | Back Directory | [Name]
1-(4-AMINOBENZOYL)-4-METHYLPIPERAZINE | [CAS]
55121-99-8 | [Synonyms]
NSC 27588
BUTTPARK 19\02-44
1-(4-AMINOBENZOYL)-4-METHYLPIPERAZINE
1-(4-Aminobenzoyl)-4-methyl piperidine
4-(4-methylpiperazine-1-carbonyl)aniline
4-[(4-Methyl-1-piperazinyl)carbonyl]aniline
(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone
(4-aminophenyl)(4-methyl-1-piperazinyl)Methanone
Methanone, (4-aminophenyl)(4-methyl-1-piperazinyl)- | [Molecular Formula]
C12H17N3O | [MDL Number]
MFCD00973892 | [MOL File]
55121-99-8.mol | [Molecular Weight]
219.28 |
| Chemical Properties | Back Directory | [Melting point ]
140℃ | [Boiling point ]
407.0±40.0 °C(Predicted) | [density ]
1.167 | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
6.86±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [InChI]
InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3 | [InChIKey]
WTBSUAXLZLAHPE-UHFFFAOYSA-N | [SMILES]
C(C1=CC=C(N)C=C1)(N1CCN(C)CC1)=O |
| Hazard Information | Back Directory | [Synthesis]
Step 3A-2: Synthesis of 4-[(4-methyl-1-piperazinyl)carbonyl]aniline. Pd/C catalyst (150 mg) was added to a methanol solution containing (4-methylpiperazin-1-yl)(4-nitrophenyl)methanone (440 mg, 1.7670 mmol) and the reaction was stirred for 2 h under hydrogen atmosphere. The progress of the reaction was monitored by thin layer chromatography (TLC) (unfolding agent: 10% methanol/chloroform). After completion of the reaction, the mixture was filtered through a bed of diatomaceous earth and the filtrate was concentrated to give 380 mg (98% yield) of 4-[(4-methyl-1-piperazinyl)carbonyl]aniline. | [References]
[1] Patent: WO2012/59932, 2012, A1. Location in patent: Page/Page column 121
[2] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 9, p. 1615 - 1620
[3] Patent: WO2012/58671, 2012, A1. Location in patent: Page/Page column 80
[4] Patent: WO2004/26829, 2004, A2. Location in patent: Page/Page column 96
[5] Chemistry - An Asian Journal, 2017, vol. 12, # 7, p. 785 - 791 |
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