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Chemical Structure| 13333-97-6 Chemical Structure| 13333-97-6

Structure of 13333-97-6

Chemical Structure| 13333-97-6

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Product Details of [ 13333-97-6 ]

CAS No. :13333-97-6
Formula : C7H5F3S
M.W : 178.17
SMILES Code : SC1=CC=CC=C1C(F)(F)F
MDL No. :MFCD00068896
InChI Key :XVGQHRKNXSUPEF-UHFFFAOYSA-N
Pubchem ID :2777889

Safety of [ 13333-97-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311+H331-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 13333-97-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 13333-97-6 ]

[ 13333-97-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 3107-19-5 ]
  • [ 13333-97-6 ]
  • [ 1620782-88-8 ]
YieldReaction ConditionsOperation in experiment
82.3% With potassium carbonate; In N,N-dimethyl-formamide; at 100℃; for 3.5h; N*3*-[3,5-Dichloro-4-(2 rifluoromethyl^henylsulfanyl)^henyl]-lH-[l,2,4]triazole-3,5- iamine (Compound 10) In a 250-mL round-bottomed flask, l,3-dichloro-2-fluoro-5-nitrobenzene (1.22 g, 5.81 mmol, Eq: 1.00), 2-(trifluoromethyl)benzenethiol (1.01 g, 5.67 mmol, Eq: 0.976) and potassium carbonate (0.98 g, 7.09 mmol, Eq: 1.22) were combined with N,N-dimethylformamide (22 mL) to give a light brown suspension. The reaction mixture was heated at 100 C for 3.5 hrs. After this time, the reaction mixture was partitioned between ethyl acetate and water. The organic phase was dried over sodium sulfate, filtered, and concentrated to a brown oil. This crude product was dissolved in methylene chloride, then the mixture was concentrated over silica gel. The silica gel supported crude product was loaded onto a 120 gram silica gel column. Flash chromatography (100% hexanes ramped to 5% ethyl acetate in hexanes) provided 1.76 g (82.3%) of (2,6- dichloro-4-nitrophenyl)(2-(trifluoromethyl)phenyl)sulfane as a light yellow solid.
  • 2
  • [ 13333-97-6 ]
  • [ 1869-24-5 ]
 

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