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Chemical Structure| 1256162-94-3 Chemical Structure| 1256162-94-3

Structure of 1256162-94-3

Chemical Structure| 1256162-94-3

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Product Details of [ 1256162-94-3 ]

CAS No. :1256162-94-3
Formula : C7H4ClN3O
M.W : 181.58
SMILES Code : O=CC1=C2N=C(Cl)C=CN2N=C1
MDL No. :MFCD22551530
InChI Key :NYWPUMGVBDABLA-UHFFFAOYSA-N
Pubchem ID :58196401

Safety of [ 1256162-94-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 1256162-94-3 ]

* 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 [ 1256162-94-3 ]

[ 1256162-94-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 5369-19-7 ]
  • [ 1256162-94-3 ]
  • [ 1256163-06-0 ]
YieldReaction ConditionsOperation in experiment
96% In 1,4-dioxane; at 120℃; for 0.166667h;Microwave irradiation; To 5-chloropyrazolo[l,5-a]pyrimidine-3-carbaldehyde (50 mg, 0.276 mmol) in dioxane was added <strong>[5369-19-7]3-tert-butylaniline</strong> (206 mg, 1.381 mmol). The mixture was heated in microwave for 10 minutes at 120 °C. The solid formed was isolated by filtration and air dried to yield 78 mg 5-(3-tert-butylphenylamino)pyrazolo[l,5-a]pyrimidine-3-carbaldehyde (96percent yield). LCMS (M+ 1=295)
  • 2
  • [ 1218935-59-1 ]
  • [ 1256162-94-3 ]
  • (R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
100% With potassium fluoride; In dimethyl sulfoxide; at 180℃; for 2h; A mixture of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (4.70 g, 25.9 mmol), <strong>[1218935-59-1](R)-2-(2,5-difluorophenyl)pyrrolidine</strong> (Intermediate 5, 5.07 g, 27.7 mmol) and KF (7.52 g, 129 mmol) in DMSO (86 mL) was heated at 180 C. for 2 hours. After being cooled to room temperature, the reaction mixture was poured into water. The mixture was extracted with EtOAc twice. The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrate in vacuo. The residue was purified by column chromatography on SiO2 (EtOAc only to DCM:MeOH=20:1) to afford 5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (8.50 g, 100%) as a yellow solid. 1H-NMR (CDCl3, Varian, 400 MHz): delta 1.90-2.28 (3H, m), 2.38-2.60 (1H, m), 3.60-4.18 (2H, m), 5.14-5.28 (0.6H, m), 5.54-5.72 (0.4H, m), 5.84-6.02 (0.6H, m), 6.35-6.46 (0.4H, m), 6.68-6.78 (1H, m), 6.82-7.20 (2H, m), 8.10-8.36 (2H, m), 9.77 and 10.11 (1H, s+s).
 

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[ 1256162-94-3 ]

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[ 1256162-94-3 ]

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