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[ CAS No. 902131-33-3 ] {[proInfo.proName]}

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Chemical Structure| 902131-33-3
Chemical Structure| 902131-33-3
Structure of 902131-33-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 902131-33-3 ]

CAS No. :902131-33-3 MDL No. :MFCD13183061
Formula : C9H8N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :JKKMMVLTZRIYDW-UHFFFAOYSA-N
M.W : 176.17 Pubchem ID :70680386
Synonyms :

Safety of [ 902131-33-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P363-P501 UN#:
Hazard Statements:H302+H312+H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 902131-33-3 ]

* 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 [ 902131-33-3 ]

[ 902131-33-3 ] Synthesis Path-Downstream   1~7

  • 2
  • [ 902131-33-3 ]
  • [ 3300-51-4 ]
  • 2-(1<i>H</i>-indazol-4-yl)-<i>N</i>-(4-trifluoromethyl-benzyl)-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.07 g With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; for 16h;
  • 5
  • [ 186407-74-9 ]
  • [ 902131-33-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: DavePhos; bis(dibenzylideneacetone)-palladium(0) / tetrahydrofuran; toluene / 16 h / Inert atmosphere; Reflux 2: trifluoroacetic acid / 1 h / 20 °C / Inert atmosphere
  • 6
  • tert-butyl 2-(1H-indazol-4-yl)acetate [ No CAS ]
  • [ 902131-33-3 ]
YieldReaction ConditionsOperation in experiment
With trifluoroacetic acid at 20℃; for 1h; Inert atmosphere; Part A. tert-Butyl 2-(1H-indazol-4-yl)acetate (2.8 g, 12.05 mmol) was treated with TFA (30 mL). The resulting solution was stirred at room temperature for 1 hour. The reaction mixture was concentrated in vacuo and tritrurated with ether (20 mL) to yield a crude solid (2.88 g) which was used without further purification in part B.
  • 7
  • [ 902131-33-3 ]
  • [ 64-17-5 ]
  • ethyl 2-(1H-indazol-4-yl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
2.05 g With sulfuric acid for 16h; Inert atmosphere; Reflux; Part B. Sulfuric acid (0.2 mL) was added to crude 2-(1H-indazol-4-yl)acetic acid (2.88 g), in ethanol (100 mL). The resulting solution was stirred at reflux for 16 hours. The reaction mixture was neutralised with saturated sodium bicarbonate and the organic solvent evaporated under reduced pressure. The aqueous residue was diluted with ethyl acetate (50 mL), and the organic layer then washed sequentially with water (20 mL) and saturated brine (15 mL). The organic layer was dried, filtered and evaporated under reduced pressure to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 0 to 100% ethyl acetate in heptane. Pure fractions were evaporated to dryness to afford ethyl 2-(1H-indazol-4-yl)acetate (2.050 g, 83%, 2 steps) as a yellow gum. 1H NMR (400 MHz, CDCl3, 30 °C): δ (ppm) 1.24 (t, J=7.1 Hz, 3H), 3.94 (s, 2H), 4.17 (q, J=7.1 Hz, 2H), 7.07 (d, J=6.9 Hz, 1H), 7.34 (dd, J=8.4, 6.9 Hz, 1H), 7.41 (d, J=8.4 Hz, 1H), 8.17 (s, 1H), 10.36 (s, 1H) 13C NMR (126 MHz, CDCl3, 30 °C): δ (ppm) 14.2, 39.5, 61.1, 109.0, 121.8, 123.3, 126.9, 127.3, 133.7, 140.3, 171.1. ESI+ obs 205.09709 calc 205.09715. HPLC Purity 100%.
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