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Structure of 862170-55-6

Chemical Structure| 862170-55-6

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Product Details of [ 862170-55-6 ]

CAS No. :862170-55-6
Formula : C12H6Cl2FNO
M.W : 270.08
SMILES Code : O=C(C1=C(Cl)C=C(Cl)N=C1)C2=CC=C(F)C=C2
MDL No. :MFCD31543873
InChI Key :YJIBFNFXMDXGQN-UHFFFAOYSA-N
Pubchem ID :58919691

Safety of [ 862170-55-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 862170-55-6 ]

* 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 [ 862170-55-6 ]

[ 862170-55-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 861905-51-3 ]
  • [ 862170-55-6 ]
  • [ 862170-62-5 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate;tetrakis(triphenylphosphine) palladium(0); In water; isopropyl alcohol; at 90℃; for 1.5h; Intermediate 26: 3-{4-Chloro-5-[(4-fluorophenyl)carbonyl]-2-pyridinyl}-5-fluoro-4- methvl-N- 1-methvl-1 H-pvrazol-5-vl) benzamide; A mixture of (4, 6-dichloro-3-pyridinyl) (4-fluorophenyl) methanone (Intermediate 17, 100mg), 3-fluoro-4-methyl-N- (1-methyl-1 H-pyrazol-5-yl)-5- (4, 4,5, 5-tetramethyl-1, 3,2- dioxaborolan-2-yl) benzamide (Intermediate 24, 100mg), tetrakis (triphenylphosphine) palladium (6mg) and aqueous sodium hydrogen carbonate (1M, 0. 84moi) in isopropanol (2ml) was heated at 90C for 1.5h. The reaction mixture was absorbed onto silica, applied to a silica column (5g) and eluted with a cyclohexane/ethyl acetate gradient (4-50% ethyl acetate) to give the title compound as a pale yellow foam. LC-MS: Rt 3.40min, MH+ 467,469
  • 2
  • [ 861905-43-3 ]
  • [ 862170-55-6 ]
  • [ 862170-56-7 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate;tetrakis(triphenylphosphine) palladium(0); In water; isopropyl alcohol; at 90℃; for 1.5h; Intermediate 18: 3-44-Chloro-5-r (4-fluorophenvl) carbonvll-2-pyridinyl}-N-ethvl-5-fluoro- 4-methvlbenzamide; (4, 6-Dichloro-3-pyridinyl) (4-fluorophenyl) methanone (Intermediate 17, 49mg), N-ethyl- 3-fluoro-4-methyl-5- (4, 4,5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl) benzamide (Intermediate 12, 56mg), tetrakis (triphenylphosphine) palladium (3mg) and aqueous sodium hydrogen carbonate (1M, 0. 5moi) were mixed in isopropanol (1. 5ml) and heated at 90C for 1.5h. The solvent was removed under vacuum and the residue was dissolved in ethyl acetate/cyclohexane (1: 1). The solution was applied to a silica column (1g) and eluted with more ethyl acetate/cyclohexane (1: 1) to give the title compound as a greenish yellow oil (62mg). LC-MS: Rt 3. 43min, MH+ 415
  • 3
  • [ 73027-79-9 ]
  • [ 181705-93-1 ]
  • [ 862170-55-6 ]
YieldReaction ConditionsOperation in experiment
Intermediate 17: (4, 6-Dichloro-3-pvridinvl) (4-fluorophenvl) methanone; 4, 6-Dichloro-3-pyridinecarboxylic acid (220mg) in thionyl chloride (1 ml) was heated at 100C for 1.5h. Excess thionyl chloride was removed under vacuum and the residue was dissolved in dry THF (5ml). Tetrakis (triphenylphosphine) palladium (7mg) and 4- fluorophenylzinc bromide (0.5M in THF, 2. 6ml) were added to the solution which was stirred at room temperature for 1. 5h. The reaction mixture was treated with saturated ammonium chloride solution, extracted with ether (x2) and the organic phase was concentrated under vacuum. The residue was applied to a silica column (5g) and eluted with an ethyl acetate/cyclohexane gradient (0-18% ethyl acetate) to give the title compound as a colourless oil (130mg). LC-MS: Rt 3. 28min, MH+ 270/272/274
 

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