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Chemical Structure| 633327-50-1 Chemical Structure| 633327-50-1

Structure of 633327-50-1

Chemical Structure| 633327-50-1

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Product Details of [ 633327-50-1 ]

CAS No. :633327-50-1
Formula : C7H7FN2O2
M.W : 170.14
SMILES Code : CC1=C(N)C=C(F)C(=C1)[N+]([O-])=O
MDL No. :MFCD07368827
InChI Key :RZRYLRYVZYEYNR-UHFFFAOYSA-N
Pubchem ID :23070131

Safety of [ 633327-50-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 633327-50-1 ]

* 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 [ 633327-50-1 ]

[ 633327-50-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 633327-50-1 ]
  • [ 633327-51-2 ]
YieldReaction ConditionsOperation in experiment
21% With acetic acid; sodium nitrite In water for 2 h; Cooling with ice Preparation 47D: 6-Fluoro-5-nitro-lH-indazole
To a solution of 5-fluoro-2-methyl-4-nitroaniline (4.9 g, 28.82 mmol) in AcOH (50 mL) was added NaNC>2 (2.18 g, 31.71 mmol) in water (5 mL) in ice-bath. The mixture was stirred for 2 hr in ice-bath. H20 was added and extracted with EA, dried, concentrated and purified by flash chromatography on silica gel (PE/EA=3/1) to afford the title compound (1.14 g, 21percent). 1H NMR (300 MHz, DMSO): δ 7.86 (1H, d, J=12.0 Hz), 8.36 (1H, s), 8.76 (1H, d, J= 7.2 Hz), 13.71 (1H, s). [M+H] Calc'd for C7H4FN302, 182; Found, 182.
References: [1] Patent: WO2016/4105, 2016, A1, . Location in patent: Paragraph 00146.
[2] Patent: EP1510516, 2005, A1, . Location in patent: Page/Page column 101-102.
 

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