[ CAS No. 92534-69-5 ]

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2D
Chemical Structure| 92534-69-5
Chemical Structure| 92534-69-5
Structure of 92534-69-5

Quality Control of [ 92534-69-5 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 92534-69-5 ]

SDS

Product Details of [ 92534-69-5 ]

CAS No. :92534-69-5MDL No. :MFCD00222738
Formula :C5H5N3O4Boiling Point :399.0±27.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :171.11Pubchem ID :-
Synonyms :

Computed Properties of [ 92534-69-5 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 92534-69-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 92534-69-5 ]

  • Upstream synthesis route of [ 92534-69-5 ]
  • Downstream synthetic route of [ 92534-69-5 ]

[ 92534-69-5 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 16034-46-1 ]
  • [ 92534-69-5 ]
YieldReaction ConditionsOperation in experiment
50% at 60℃; for 1.00 h; Oleum (1977mmol) is slowly added to fuming nitric acid (777 mmol) followed by the addition of 2-methyl-2H-pyrazole-3-carboxylic acid (277 mmol) in small portions maintaining the reaction temperature below 6O0C. Stirring at this temperature is then continued for a further 1 h. On completion, the reaction mixture is poured onto crushed ice and extracted with ethyl acetate (300 mL x 3). The combined organic phases are washed with water (250 mL x 2) and dried over anhydrous sodium sulfate. The solvent is removed under reduced pressure to afford 2-methyl-4-nitro-2H-pyrazole-3- carboxylic acid as a light yellow solid. Compound wt: 23.6g, 50percent.[00251] 1H NMR (400 MHz, OMSO-d6) δ: 8.29 (lH,s); 3.95 (3H, s).
50% at 60℃; for 1.00 h; Oleum (1977mmol) is slowly added to fuming nitric acid (777 mmol) followed by the addition of 2-methyl-2H-pyrazole-3-carboxylic acid (277 mmol) in small portions maintaining the reaction temperature below 600C. Stirring at this temperature is then continued for a further 1 h. On completion, the reaction mixture is poured onto crushed ice and extracted with ethyl acetate (300 mL x 3). The combined organic phases are washed with water (250 mL x 2) and dried over anhydrous sodium sulfate. The solvent is removed under reduced pressure to afford 2-methyl-4-nitro-2H-pyrazole-3- carboxylic acid as a light yellow solid. Compound wt: 23.6g, 50percent. [0234] 1H NMR (400 MHz, OMSO-d6) δ: 8.29 (lH,s); 3.95 (3H, s).
50% at 60℃; for 1.00 h; Oleum (1977 mmol) was slowly added to fuming nitric acid (777 mmol) followed by the addition of 2-methyl-2H-pyrazole-3-carboxylic acid (277 mmol) in small portions maintaining the reaction temperature below 60oC.
Stirring at this temperature was continued for a further 1 h.
On completion, the reaction mixture was poured onto crushed ice and extracted with ethyl acetate (300 mL*3).
The combined organic phases were washed with water (250 mL*2) and dried over anhydrous sodium sulfate.
The solvent was removed under reduced pressure to afford 2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid as a light yellow solid.
Compound wt: 23.6 g, 50percent. 1H NMR (400 MHz, DMSO-d6) δ: 8.29 (1H, s); 3.95 (3H, s).
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983, vol. 19, # 12, p. 1326 - 1330[2] Khimiya Geterotsiklicheskikh Soedinenii, 1983, vol. 19, # 12, p. 1676 - 1679
[3] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 5, p. 976 - 980[4] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 5, p. 1073 - 1078
[5] Patent: WO2009/71705, 2009, A1. Location in patent: Page/Page column 39
[6] Patent: WO2009/71706, 2009, A1. Location in patent: Page/Page column 48-49
[7] Patent: US2008/242661, 2008, A1. Location in patent: Page/Page column 25-26
[8] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 5, p. 1369 - 1375
[9] Patent: US4317823, 1982, A
[10] Patent: US4381303, 1983, A
  • 2
  • [ 309740-49-6 ]
  • [ 92534-69-5 ]
Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 22, p. 2624 - 2627
  • 3
  • [ 75092-30-7 ]
  • [ 92534-69-5 ]
Reference: [1] Russian Chemical Bulletin, 1996, vol. 45, # 11, p. 2581 - 2584
  • 4
  • [ 74-88-4 ]
  • [ 92534-69-5 ]
  • [ 4598-86-1 ]
Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 22, p. 2624 - 2627
  • 5
  • [ 77-78-1 ]
  • [ 400877-57-8 ]
  • [ 309740-49-6 ]
  • [ 92534-69-5 ]
Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 22, p. 2624 - 2627
  • 6
  • [ 3185-99-7 ]
  • [ 400877-57-8 ]
  • [ 309740-49-6 ]
  • [ 92534-69-5 ]
  • [ 4598-86-1 ]
Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 22, p. 2624 - 2627
  • 7
  • [ 694-31-5 ]
  • [ 92534-69-5 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, # 5, p. 976 - 980[2] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 5, p. 1073 - 1078
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