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[ CAS No. 33334-08-6 ]

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2D
Chemical Structure| 33334-08-6
Chemical Structure| 33334-08-6
Structure of 33334-08-6 *Storage: {[proInfo.prStorage]}

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Product Details of [ 33334-08-6 ]

CAS No. :33334-08-6MDL No. :MFCD09910195
Formula : C7H7N3 Boiling Point : 317.5°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :133.15Pubchem ID :11768620
Synonyms :

Computed Properties of [ 33334-08-6 ]

TPSA : 43.8 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 33334-08-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 33334-08-6 ]

  • Upstream synthesis route of [ 33334-08-6 ]
  • Downstream synthetic route of [ 33334-08-6 ]

[ 33334-08-6 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 271-44-3 ]
  • [ 33334-08-6 ]
YieldReaction ConditionsOperation in experiment
47% With sodium hydroxide; hydroxylamine-O-sulfonic acid In ethanol; water; ethyl acetate REFERENCE EXAMPLE 12
Synthesis of 1-aminoindazole
To a solution of 2.2 g(55 mmol) of sodium hydroxide in 30 ml of water was added 1.33 g(10 mmol) of 1H-indazole and ethanol was slowly added at 50° C. until the reaction mixture was dissolved thoroughly.
The resulting mixture was heated to 55° C. and 2.83 g(25 mmol) of hydroxylamine-O-sulfonic acid was slowly added over 30 min with vigorous stirring followed by further stirring for 30 min.
After completion of reaction, the resulting precipitate was filtered off, and the filtrate was extracted with dichloromethane(30 ml*2), dried over anhydrous magnesium sulfate and concetrated under the reduced pressure.
The concentrate was chromatographed over silica gel using 10percent ethyl acetate/dichloromethane as an eluent.
The fractions containing the desired product were concentrated under the reduced pressure and crystallized from benzene/petroleum ether to give 0.63 g of the desired compound(47percent).
m.p. =104°~106° C.
NMR (DMSO-d6, δ) 5.41 (s, 2H, NH2), 6.85~7.95 (m, 4H) 8.05 (s,1H)
Reference: [1] Patent: US5336673, 1994, A,
  • 2
  • [ 271-44-3 ]
  • [ 33334-11-1 ]
  • [ 33334-08-6 ]
Reference: [1] Journal of Medicinal Chemistry, 1996, vol. 39, # 2, p. 570 - 581
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 12, p. 3599 - 3608
  • 3
  • [ 71-36-3 ]
  • [ 33334-08-6 ]
Reference: [1] Patent: US2004/121316, 2004, A1,
[2] Patent: US2004/121316, 2004, A1,
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