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Chemical Structure| 1206599-46-3 Chemical Structure| 1206599-46-3

Structure of 1206599-46-3

Chemical Structure| 1206599-46-3

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Product Details of [ 1206599-46-3 ]

CAS No. :1206599-46-3
Formula : C7H3ClF3I
M.W : 306.45
SMILES Code : FC(F)(F)C1=CC=C(I)C=C1Cl
MDL No. :MFCD12827841
InChI Key :OBRXTVDFVJAUAH-UHFFFAOYSA-N
Pubchem ID :66783212

Safety of [ 1206599-46-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 1206599-46-3 ]

* 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 [ 1206599-46-3 ]

[ 1206599-46-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 445-13-6 ]
  • [ 1206599-46-3 ]
YieldReaction ConditionsOperation in experiment
With toluene-4-sulfonic acid; potassium iodide; sodium nitrite; In water; acetonitrile; at 10℃; Intermediate 19 (S)-2-(4-Chloro-3-trifluoromethoxy-phenylamino)-propionic AcidA) 2-Chloro-4-iodo-1-trifluoromethyl-benzene; To a solution of <strong>[445-13-6]3-chloro-4-(trifluoromethyl)aniline</strong> (450 mg, 2.30 mmol) and toluene 4-sulfonic acid (1.19 g, 6.92 mmol) in CH3CN (10 mL) was added a solution of potassium iodide (955 mg, 5.76 mmol) and sodium nitrite (318 mg, 4.61 mmol) in water (1.8 mL) over 15 min at 10 C., then after 20 min the reaction mixture was poured onto water, neutralized with sat. aq. NaHCO3 solution, treated with 2 M aq. sodium thiosulfate solution (6 mL), and extracted with EtOAc. The organic layer was dried (MgSO4), filtered, and evaporated to afford the title compound (517 mg) as a light brown oil, which was directly used in the next step.
 

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