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Structure of 4720-72-3

Chemical Structure| 4720-72-3

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Product Details of [ 4720-72-3 ]

CAS No. :4720-72-3
Formula : C8H8N2O3
M.W : 180.16
SMILES Code : N=C(C1=CC=C(OCO2)C2=C1)NO
MDL No. :MFCD03426246

Safety of [ 4720-72-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 4720-72-3 ]

* 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 [ 4720-72-3 ]

[ 4720-72-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 618-89-3 ]
  • [ 4720-72-3 ]
  • 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,2,4-oxadiazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With sodium hydroxide; In dimethyl sulfoxide; at 20℃; for 3.25h; The title compound was prepared according to the published protocol5. To a solution ofN-hydroxy-1,3..benzodioxole-5-carboximidamide (360 mg, 2 mmol) and methyl3-bromobenzoate (645 mg, 3 mmol) in DMSO (3 mL) powdered NaOH (120 mg, 3.0 mmol)was rapidly added. The solid precipitate was formed after 15 mm stirring. The heterogeneous mixture was stirred at room temperature for 3 h. The reaction mixture was diluted with cold water (60 mL). The resulting precipitate was filtered off, washed with water (3x30 mL) and air dried to provide the product sery564 as a white crystalline solid (545 mg, 79%).TLC (hexane:EtOAc, 7/1 v/v): RE = 0.55.1H NMR (400 MHz, CDCI3) 6 = 8.35 (t, J = 1.6 Hz, 1H), 8.12 (dt, J = 7.8, 1.3 Hz, 1H), 7.75-7.70 (m, 2H), 7.59(d, J= 1.7 Hz, 1H), 7.42 (t, J= 7.8 Hz, 1H), 6.93 (d, J= 8.1 Hz, 1H), 6.05(s, 2H).l3 NMR (100.6 MHz, ODd3) 6 = 174.2, 168.8, 150.4, 148.3, 135.8, 131.2, 130.8, 126.7,126.4, 123.3, 122.6, 120.6, 108.8, 107.7, 101.8.LC MS (RP18-100A, gradient 0% CH3CN/100% H20 100% CH3CN in 50 mm), RT 46.9 mm and mass 344.92 (100%), 346.95 (100%) ([M+H]).M.p. 163-164 00.
 

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Related Functional Groups of
[ 4720-72-3 ]

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Related Parent Nucleus of
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