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Chemical Structure| 114381-79-2 Chemical Structure| 114381-79-2

Structure of 114381-79-2

Chemical Structure| 114381-79-2

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Product Details of [ 114381-79-2 ]

CAS No. :114381-79-2
Formula : C9H8ClNO2
M.W : 197.62
SMILES Code : O=C(C1=C(Cl)N=C2C(CCC2)=C1)O

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Application In Synthesis of [ 114381-79-2 ]

* 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 [ 114381-79-2 ]

[ 114381-79-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 35216-39-8 ]
  • [ 114381-79-2 ]
  • 2-chloro-N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
72.9% With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In chloroform; at 20℃; for 120h; To a mixture of 2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (114 mg, 0.577 mmol), 3-methylsulfonylaniline (104 mg, 0.607mmol) and HBTU (241 mg, 0.637 mmol) in chloroform (4 mL) was added DIPEA (221 pL, 1.27 mmol). The resulting mixture was stirred at room temperature for 5 days (for convenience). The solvent was removed under a stream of N2, and the residue treated with water/MeOH (3: 1). This mixture was briefly sonicated then stirred at room temperature for 1 h. The resulting precipitate was collected by filtration, washed with water and dried under vacuum to give 2-chloro-N-(3- methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (147.6 mg, 0.421 mmol, 72.9% yield) as a brown solid which was used without further purification. MS, ES+m/z 351.1 [M+H]+.
 

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