Identification | More | [Name]
3,4-Dimethylbenzyl chloride | [CAS]
102-46-5 | [Synonyms]
1-CHLOROMETHYL-3,4-DIMETHYLBENZENE 3,4-DIMETHYLBENZYL CHLORIDE 4-CHLOROMETHYL-O-XYLENE AKOS BBS-00003954 4-(chloromethyl)-1,2-dimethyl-benzen 4-(Chloromethyl)-1,2-dimethylbenzene Benzene, 1-(chloromethyl)-3,4-dimethyl- 3,4-DIMETHYLBENZYL CHLORIDE, TECH., 60% 3,4-Dimethylbenzyl chloride 70% 3,4-DIMETHYLBENZYL CHLORIDE (CONTAINS ISOMER): 70% 3,4-DIMETHYLBENZYL CHLORIDE (CONTAINS ISOMER) 70+% Esperox 570 Lupersol 575 tert-Pentyl peroxy-2-ethylhexanoate | [EINECS(EC#)]
203-032-5 | [Molecular Formula]
C9H11Cl | [MDL Number]
MFCD00000910 | [Molecular Weight]
154.64 | [MOL File]
102-46-5.mol |
Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns. R36/37:Irritating to eyes and respiratory system . | [Safety Statements ]
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 label where possible) . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
2903998090 |
Hazard Information | Back Directory | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 32, p. 1757, 1989 DOI: 10.1021/jm00128a016 | [Synthesis]
To a 500 mL three-neck flask were added o-xylene (16.4 mmol), paraformaldehyde (36.3 mmol), concentrated hydrochloric acid (16 mL), and ionic liquid catalyst (4.92 mmol). The reaction mixture was stirred at 70 °C for an appropriate time. After completion of the reaction, the mixture was filtered and extracted with dichloromethane (3 x 20 mL). The organic phases were combined and washed sequentially with saturated NaHCO3 solution (2 x 20 mL) and deionized water (2 x 20 mL). The organic phase was dried with anhydrous sodium sulfate, filtered and concentrated to dryness under reduced pressure. The organic residue was redissolved in dichloromethane and analyzed by HPLC. The target products, 1,2-bis(chloromethyl)-4,5-xylene and 3,4-dimethylbenzyl chloride, were separated by silica gel column chromatography and structurally characterized by 1H NMR. The remaining aqueous catalytic solution was concentrated under reduced pressure to a colorless liquid in 95% yield. The same reaction conditions were available for the next experiment. | [References]
[1] Synthetic Communications, 2006, vol. 36, # 20, p. 3053 - 3059 [2] Journal of the Chilean Chemical Society, 2013, vol. 58, # 4, p. 2196 - 2199 |
|
|