4-(4-aminophenyl)-1-methylpiperazin-1-ium
4-(N-Methylpiperazino)aniline
CAS: 16153-81-4
Molecular Formula: C11H17N3
4-(4-aminophenyl)-1-methylpiperazin-1-ium - Names and Identifiers
| Name | 4-(N-Methylpiperazino)aniline |
| Synonyms | AKOS BB-8657 AKOS B021941 OTAVA-BB BB7110920492 4-(N-Methylpiperazino)aniline 4-(4-METHYLPIPERAZINE)ANILINE 4-(4-METHYLPIPERAZINO)ANILINE 4-(4-METHYLPIPERAZIN-1-YL)ANILINE 1-(4-AMINOPHENYL)-4-METHYLPIPERAZINE 4-Methyl-1-(4-aminophenyl)piperazine 4-(4-METHYLPIPERAZIN-1-YL)PHENYLAMINE 4-(4-aminophenyl)-1-methylpiperazin-1-ium |
| CAS | 16153-81-4 |
| InChI | InChI=1/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3/p+1 |
4-(4-aminophenyl)-1-methylpiperazin-1-ium - Physico-chemical Properties
| Molecular Formula | C11H17N3 |
| Molar Mass | 191.27 |
| Density | 1.092±0.06 g/cm3(Predicted) |
| Melting Point | 89 °C |
| Boling Point | 180°C/5mmHg(lit.) |
| Flash Point | 164°C |
| Solubility | DMSO (Sparingly), Methanol (Slightly) |
| Vapor Presure | 4.09E-05mmHg at 25°C |
| Appearance | Solid |
| Color | Very Dark Gray to Black |
| pKa | 8.08±0.42(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Sensitive | Air Sensitive |
| MDL | MFCD00172703 |
4-(4-aminophenyl)-1-methylpiperazin-1-ium - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | 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. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 3259 |
| HS Code | 29349990 |
| Hazard Note | Corrosive |
| Hazard Class | 8 |
| Packing Group | III |
4-(4-aminophenyl)-1-methylpiperazin-1-ium - Reference Information
| Overview | 4-(4-methylpiperazine) aniline can be used to prepare 2-N-aryl-4-N-aryl-5-aryl-5-fluoropyrimidine compounds, this compound has a high FGFR4 inhibitory effect and can be used as a potential anticancer drug. |
| Application | 4-(4-methylpiperazine) aniline can be used as a pharmaceutical intermediate, which can be prepared by reducing p-fluoronitrobenzene with N-methylpiperazine nucleophilic substitution. |
| synthesis method | the synthesis method of 4-(4-methylpiperazine) aniline is as follows: 1) synthesis of 4-(4-methylpiperazine) nitrobenzene 1.0g(7.1mmol) p-fluoronitrobenzene and 1.42g(14.17mmol)N-methylpiperazine are dissolved in 10mL of dry dimethyl sulfoxide (DMSO), 1.96g(14.17mmol) of potassium carbonate was added to the mixed solution. After stirring at normal temperature for 5 hours, ice water is added to the reaction solution, precipitates and precipitates, suction filtration, and 1.18g of yellow product is obtained after the filter cake is dried, and the yield is 75.25%. 2) Synthesis of 4-(4-methylpiperazine) aniline 1.0 g4-(4-methylpiperazine) nitrobenzene was dissolved in 10mL methanol, and the catalytic amount of 10% Pd/C (mass fraction) was slowly added and hydrogen was introduced under stirring. The reaction was carried out at room temperature for 5h. The reaction liquid is filtered and the filter cake is washed with methanol. The filtrate was decompressed and dried to remove methanol. After the residue was separated by silica gel column chromatography, 0.72g of gray-white solid 4-(4-methylpiperazine) aniline was obtained with 83.7% yield. |
Last Update：2024-04-09 21:54:55
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