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| | 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Basic information |
| Product Name: | 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride | | Synonyms: | 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride;4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride 0.5 hydrate;4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOIC ACID DIHYDROCHLORIDE HEMIHYDRATE;4-[(4-METHYL-1-PIPERAZINYL)METHYL]BENZOIC ACID DIHYDROCHLORIDE HEMIHYDRATE;4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride;4-[(4-Methyl-1-piperaziny)methyl]benzoic acid;4-[(4-methyl-1-piperizino) methyl]benzoic acid dihydrochloride hemihydrate
;benzoic acid dihydrochloride | | CAS: | 106261-49-8 | | MF: | C13H20Cl2N2O2 | | MW: | 307.22 | | EINECS: | 600-728-4 | | Product Categories: | Intermediate of Imatinib;Aromatics;API intermediates | | Mol File: | 106261-49-8.mol | ![4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Structure](CAS/GIF/106261-49-8.gif) |
| | 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Chemical Properties |
| Melting point | 305-307°C | | storage temp. | Inert atmosphere,Room Temperature | | Water Solubility | Soluble in water | | solubility | Methanol (Slightly, Heated), Water (Slightly) | | form | powder to crystal | | color | White to Almost white | | Stability: | Hygroscopic | | InChI | InChI=1S/C13H18N2O2.2ClH.H2O/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H;1H2 | | InChIKey | ISHROKOWRJDOSN-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(C=C1)CN1CCN(CC1)C.Cl.Cl.O | | LogP | 0.6 | | CAS DataBase Reference | 106261-49-8(CAS DataBase Reference) |
| | 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Usage And Synthesis |
| Chemical Properties | White Solid | | Uses | 4-(4-Methylpiperazinomethyl)benzoic Acid, Dihydrochloride (cas# 106261-49-8) is a compound useful in organic synthesis. | | Synthesis | P-cyanobenzyl chloride (1 g, 6.6 mmol) was dissolved in a mixed solvent of ethanol and water (10 mL, ethanol:water in mixed solvent = 2:1), methyl piperazine (1.2eq, 0.792 g, 7.92 mmol) was added, and the reaction was heated at 70 C for 1-2 h. After the reaction was completed, the reaction was cooled down to room temperature and most of the ethanol was recovered to give 4-(4-methyl-1- Piperazinyl)benzonitrile, add sodium hydroxide (6eq, 1.584g, 39.6mmol), heat the reaction at 70 , wait for the reaction is complete, cool to room temperature, slowly add dilute hydrochloric acid dropwise under an ice bath to pH=1, add sodium chloride to saturation, cool to precipitate a solid, filter, and dry, that is, to obtain 4-(4-methylpiperazin-1-ylmethyl)benzoic acid hydrochloride (2.0g). |
| | 4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride Preparation Products And Raw materials |
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