2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride CAS 42036-65-7
Introduction：Basic information about 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride CAS 42036-65-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride Basic information
| Product Name: | 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride |
| Synonyms: | 2-(DIMETHYLAMINOMETHYL)-1-CYCLOHEXANONE HYDROCHLORIDE;2-(DIMETHYLAMINOMETHYL)-CYCLOHEXAN-1-ONE HCL;2-(DIMETHYLAMINOMETHYL) CYCLOHEXANONE HCL;2-[(DIMETHYLAMINO)METHYL]CYCLOHEXANONE HYDROCHLORIDE;2-(N,N-DIMETHYLAMINOMETHYL)CYCLOHEXANONE HCL;2-(Dimethylaminomethyl)-1-cyclohexanone, hydrochloride salt;2-(Dimethylamino)methyl cyclhexanone hydrochloride;2-(Dimethylaminomethyl)-1-cyclohexanoneHCl |
| CAS: | 42036-65-7 |
| MF: | C9H18ClNO |
| MW: | 191.7 |
| EINECS: | |
| Product Categories: | Aminomethyl's;Ring Systems |
| Mol File: | 42036-65-7.mol |
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride Chemical Properties
| Melting point | 147-151 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| color | White |
| Water Solubility | soluble |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H |
| InChIKey | CLVHTSWMNNSUSH-UHFFFAOYSA-N |
| SMILES | C1(CN(C)C)CCCCC1=O.Cl |
| CAS DataBase Reference | 42036-65-7(CAS DataBase Reference) |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 |
| HS Code | 29223900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | white crystalline powder |
| Uses | An impurity found in Tramadol (T712500). |
| Synthesis | 0.982 g (1.03 mL, 10.0 mmol) cyclohexanone, 0.360 g (12.0 mmol) paraformaldehyde, 0.816 g (10.0 mmol) dimethylammonium chloride and 4 mL ethanol are filled in a 25 mL round bottom flask with reflux condenser and magnetic stir bar. 2 drops of conc. hydrochloric acid is added, and the mixture is heated under stirring for 4 hours under reflux. The hot solution is filtered in a round bottom flask, and the solvent is evaporated by the rotary evaporator. The residue is dissolved in 2 mL ethanol under heating. At room temperature, 20 mL acetone is added to the solution. For complete crystallization, the solution is stored overnight in the freezer compartment. The crystallized crude product 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride is sucked off over a Buechner funnel and dried in the desiccator over silica gel. |
| References | [1] Synlett, 2000, # 3, p. 341 - 342 [2] European Journal of Medicinal Chemistry, 1993, vol. 28, # 4, p. 313 - 322 [3] Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 76, # 1-4, p. 115 - 118 [4] Patent: US2017/176476, 2017, A1. Location in patent: Paragraph 0009; 0078 |
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride Preparation Products And Raw materials
| Raw materials | Formaldehyde-->Dimethylamine hydrochloride-->Cyclohexanone-->Hydrochloric acid-->Ethanol |
