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| | 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid Basic information |
| Product Name: | 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid | | Synonyms: | 4-[(1-methyl-2-piperazinyl)methyl]benzoic acid;4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZOIC ACID;4-[(4-Methyl-1-piperaziny)methyl]benzoic acid dihydrochloride;Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-;4-(4-Methyl-1-piperazinylMethyl)benzoic Acid;4-[(4-Methyl-1-piperaziny)Methyl]benzoic acid dihy;Imatinib Related Compound (4-(4-Methylpiperazin-1-yl)methyl)benzoic Acid);Imatinib-int G | | CAS: | 106261-48-7 | | MF: | C13H18N2O2 | | MW: | 234.29 | | EINECS: | 1312995-182-4 | | Product Categories: | | | Mol File: | 106261-48-7.mol |  |
| | 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid Chemical Properties |
| Melting point | 310-312 °C | | Boiling point | 377.2±32.0 °C(Predicted) | | density | 1.174±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 4.31±0.10(Predicted) | | Appearance | White to off-white Solid | | Water Solubility | Slightly soluble in water. |
| | 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid Usage And Synthesis |
| Uses | 4-(4-Methyl-1-piperazinylmethyl)benzoic acid is used as Imatinib intermediate, as pharmaceutical intermediate. | | Synthesis | GENERAL STEPS: Methyl 4-(4-methylpiperazin-1-ylmethyl)benzoate hydrochloride (1.25 g) was dissolved in potassium hydroxide-methanol solution (0.93 g KOH dissolved in 15 ml methanol). Water (0.75 ml) was added and the mixture was heated to reflux for 1 hour. After completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted to 6 with 2 M hydrochloric acid solution. the solvent was removed by evaporation and the residue was dried under vacuum. The resulting residue contained 4-(4-methylpiperazin-1-ylmethyl)benzoic acid and the inorganic salt, which could be used in the subsequent reaction without further purification, assuming 100% yield of the title compound.1H NMR (400 MHz, d6-DMSO) δ: 2.27 (s, 3H), 2.44 (bs, 2H), 3.18-3.95 (m, 8H), 7.41 ( d, 2H, J=8Hz), 7.89 (d, 2H, J=8.1Hz). | | References | [1] Patent: WO2004/63191, 2004, A1. Location in patent: Page 74 |
| | 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid Preparation Products And Raw materials |
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