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[ CAS No. 202197-31-7 ] {[proInfo.proName]}

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Chemical Structure| 202197-31-7
Chemical Structure| 202197-31-7
Structure of 202197-31-7 * Storage: {[proInfo.prStorage]}
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CAS No. :202197-31-7 MDL No. :MFCD08061259
Formula : C14H12FN3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 241.26 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 202197-31-7 ]

* 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.

  • Upstream synthesis route of [ 202197-31-7 ]
  • Downstream synthetic route of [ 202197-31-7 ]

[ 202197-31-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 456-42-8 ]
  • [ 5401-94-5 ]
  • [ 529508-58-5 ]
  • [ 202197-31-7 ]
YieldReaction ConditionsOperation in experiment
33% With Ki; potassium carbonate In water; N,N-dimethyl-formamide E.
Preparation of 1-(3-Fluoro-benzyl)-1H-indazol-5-ylamine
A mixture of 5-nitro-1H-indazole (8.15 gm, 50 mmole), m-fluoro-benzyl chloride (7.95 gm, 1.1 equiv), K2CO3 (7.59 gm, 1.1 equiv), and KI (8.47 gm, 1.02 equiv) in dry DMF (75 mL) was heated at 70° C. overnight.
After cooling to RT, water (75 mL) was slowly added to give a precipitate that consisted of about a one to one mixture of isomers [HPLC Ret Time: 1.92 (1-substitued isomer vs. 2.03 (2-substituted isomer) YMC C18 S5 4.6*50 mm, 3 min gradient, 4 mL/min].
This was collected by filtration and washed with water.
The solid was crystallized twice from acetone/water to afford the desired 1-(3-fluoro-benzyl)-5-nitro-1H-indazole (4.47 gm, 33percent).
A suspension of this material (3.00 gm, 11.1) and 10percent Pd/C (3.00 gm) in EtOH (21 mL) was kept under an H2 atmosphere (balloon) for 24 hr.
The catalyst was removed by filtration and the solvent was evaporated to leave the product as a solid (2.4 gm, 90percent).
1H NMR (CDCl3): δ 3.61 (br s, 2H), 5.52 (s, 2H), 6.81-7.85 (m, 7H), 7.85 (s, 1H); MS: 242 (M+H)+; HPLC Ret Time: 1.03 min (YMC Xterra ODS S7, 3.0*50 mm column, 2 min gradient, 5 mL/min).
Reference: [1] Patent: US2003/186983, 2003, A1,
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