| Identification | More | [Name]
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride | [CAS]
42036-65-7 | [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-(Dimethylamino)methyl cyclhexanone hydrochloride
2-(Dimethylaminomethyl)-1-cyclohexanoneHCl
2-(Dimethylaminomethyl)-1-cyclohexanone, hydrochloride salt
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride 98% | [Molecular Formula]
C9H18ClNO | [MDL Number]
MFCD00102580 | [Molecular Weight]
191.7 | [MOL File]
42036-65-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder | [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 Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
WGK 3 | [HS Code ]
29223900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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 |
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