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Chemical Structure| 78155-75-6 Chemical Structure| 78155-75-6

Structure of 78155-75-6

Chemical Structure| 78155-75-6

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Product Details of [ 78155-75-6 ]

CAS No. :78155-75-6
Formula : C9H7N3O4
M.W : 221.17
SMILES Code : O=C(C1=NNC2=C1C=C([N+]([O-])=O)C=C2)OC
MDL No. :MFCD07371594
InChI Key :TUUGVBZYZYAHPC-UHFFFAOYSA-N
Pubchem ID :12689299

Safety of [ 78155-75-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 78155-75-6 ]

* 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 [ 78155-75-6 ]

[ 78155-75-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 67-56-1 ]
  • [ 660823-32-5 ]
  • [ 78155-76-7 ]
  • [ 1360893-27-1 ]
  • [ 78155-75-6 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride;Heating / reflux; To a suspension of the carboxylic acid [1A] (2.5 g, 12.1 mmol) in methanol (40 [ML)] was added concentrated hydrochloric acid (3 drops). The reaction was heated to reflux overnight. The reaction was allowed to cool to room temperature. The solid was filtered and dried in a vacuum oven to leave a yellow solid; LCMS 3.30 min, [MLZ] [M+H] [+] 222 and [MLZ] [2M+H] + 443.
  • 2
  • [ 67-56-1 ]
  • [ 78155-76-7 ]
  • [ 78155-75-6 ]
YieldReaction ConditionsOperation in experiment
64% With sulfuric acid; at 10℃; for 6h;Reflux; Conc. H2SO4 (19.323 mmol) was added drop wise to areaction mixture of 8 g 6 (38.64 mmol) in 80 cm3methanol over a period of half an hour below 10 C. Thereaction mixture was refluxed for 6 h. The reaction masswas cooled to room temperature and poured into crushedice, filtered, and recrystallized from ethanol to afford 7.Yellow color solid; yield 64 % (5.45 g); m.p.: 234-236 C.
61% With thionyl chloride; at 0℃;Heating / reflux; To a suspension of delta-nitro-1H-indazole-S-carboxylic acid 17AP (10.74g, 51.88mmol) in MeOH (145ml) at OC was added SOCI2 (35ml) dropwise. After stirring for 10 min at 0C, the reaction mixture was refluxed overnight. HCI gas was evolved (Condenser was equipped with empty balloon to trap HCI). It was then cooled to room temperature, solid was collected by filtration and washed with MeOH to give desired 5-nitro-1 /-/-indazole-3-carboxylic acid methyl ester 18AP (7g, 61 %).
With hydrogenchloride;Heating / reflux; 13B. Preparation OF 5-NITRO-LH-INDAZOLE-3-CARBOXYLIC acid methyl ester; To a suspension of the carboxylic acid 13A (2.5 g, 12.1 mmol) in methanol (40 ml) was added concentrated hydrochloric acid (3 drops). The reaction was heated to reflux overnight. The reaction was allowed to cool to room temperature. The solid was filtered and dried in a vacuum oven to leave a yellow solid; LCMS 3.30 min, mlz [M+H] + 222 and mlz [2M+H] + 443.
  • 3
  • [ 677702-36-2 ]
  • [ 78155-75-6 ]
 

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Technical Information

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