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Chemical Structure| 172976-00-0 Chemical Structure| 172976-00-0

Structure of 172976-00-0

Chemical Structure| 172976-00-0

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Product Details of [ 172976-00-0 ]

CAS No. :172976-00-0
Formula : C13H11Br
M.W : 247.13
SMILES Code : CC1=C(Br)C=CC=C1C2=CC=CC=C2

Safety of [ 172976-00-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H318-H335-H400
Precautionary Statements:P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Class:9
UN#:3077
Packing Group:

Application In Synthesis of [ 172976-00-0 ]

* 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 [ 172976-00-0 ]

[ 172976-00-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 230301-11-8 ]
  • [ 172976-00-0 ]
  • 2-(2-methylbiphenyl-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine trifluoroacetate [ No CAS ]
  • 2
  • [ 230301-11-8 ]
  • [ 172976-00-0 ]
  • tert-butyl 2-(2-methylbiphenyl-3-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With chloro(2-dicyclohexylphosphino-2?,6?-diisopropoxy-1,1?-biphenyl)[2-(2?-amino-1,1?-biphenyl)]palladium(II) 2nd generation; sodium t-butanolate; In 1,4-dioxane; at 110℃; for 15h;Inert atmosphere; To a mixture of 3-bromo-2-methylbiphenyl (100 mg, 0.405 mmol), <strong>[230301-11-8]tert-butyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate</strong> (Ark Pharm, CatAK-24984: 180 mg, 0.81 mmol), (2?-aminobiphenyl-2-yl)(chloro)[dicyclohexyl(2?,6?-diisopropoxybiphenyl-2-yl)phosphoranyl]palladium (30.9 mg, 39.7 mumol) (RuPhos G2, Aldrich, cat753246) in 1,4-dioxane (1.1 mL) was added sodium tert-butoxide (76.4 mg, 0.795 mmol). The resulting mixture was heated at 110 C. under the atmosphere of N2 for 15 h, then diluted with methylene chloride, washed with saturated NaHCO3, water and brine. The organic layer was dried over Na2SO4, filtered and concentrated. The residue was used in the next step without further purification. LC-MS calculated for C24H28N3O2 (M+H)+: m/z=390.2; found 390.2.
 

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