Identification | More | [Name]
2,5-DIFLUOROBENZENESULFONYL CHLORIDE | [CAS]
26120-86-5 | [Synonyms]
2,5-DIFLUOROBENZENESULFONYL CHLORIDE 2,5-DIFLUOROBENZENESULPHONYL CHLORIDE AKOS B019395 ART-CHEM-BB B019395 BUTTPARK 21\07-13 2,5-Difluorobenzenesulphonyl chloride 98% 2,5-Difluorobenzenesulphonylchloride98% 2,3-Difluorobenzenesulfonyl chloride 2,5-DIAMIONPYRIMIDINE | [Molecular Formula]
C6H3ClF2O2S | [MDL Number]
MFCD00060682 | [Molecular Weight]
212.6 | [MOL File]
26120-86-5.mol |
Chemical Properties | Back Directory | [Appearance]
Clear colorless to yellow liquid | [Boiling point ]
221 °C (lit.) | [density ]
1.58 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.516(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
liquid | [color ]
Clear, yellow/green | [Sensitive ]
Moisture Sensitive | [BRN ]
2723886 | [CAS DataBase Reference]
26120-86-5(CAS DataBase Reference) |
Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [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 ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29049090 |
Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to yellow liquid | [General Description]
2,5-Difluorobenzenesulfonyl chloride participates in the synthesis of aryl sulfonamide-based mineralocorticoid receptor (MR) antagonists. | [Synthesis]
The general procedure for the synthesis of 2,5-difluorobenzenesulfonyl chloride from 2,5-difluoroaniline was as follows: 12.9 g (99.9 mmol) of 2,5-difluoroaniline was rapidly added to a mixture prepared from 33 mL of concentrated hydrochloric acid and 10 mL of acetic acid in ethanol cooled to just below -10°C. The solution of 2,5-difluorobenzenesulfonyl chloride in ethanol was then added dropwise. Subsequently, a solution of 7.4 g (107 mmol) of sodium nitrite dissolved in 15 mL of water was added dropwise. After the dropwise addition, stirring was continued for 45 minutes at a temperature range of -10 to -25°C. Maintaining the temperature of the reaction solution at about -25 °C, a mixture consisting of 100 mL of acetic acid saturated with sulfur dioxide and 2.5 g (25.3 mmol) cuprous chloride was added in batches, a process that required cooling to 10 °C in an ice bath. A large amount of nitrogen generation was observed during the reaction. The reaction mixture was brought back to room temperature and kept for 2 h. Subsequently, it was poured into 450 mL of ice-water mixture and extracted with ether. The ether extracts were combined, washed with saturated aqueous sodium bicarbonate, dried over sodium sulfate and concentrated. The resulting oily residue was distilled under reduced pressure to give 14.3 g (87% yield) of a liquid product consisting mainly of 2,5-difluorobenzenesulfonyl chloride with a boiling point of 65-70 °C (0.5 mmHg), which could be used in subsequent steps without further purification. | [References]
[1] Patent: US6509499, 2003, B1 [2] Journal of Chemical Information and Modeling, 2015, vol. 54, # 12, p. 3404 - 3416 |
|
|