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Chemical Structure| 6531-13-1 Chemical Structure| 6531-13-1

Structure of 6531-13-1

Chemical Structure| 6531-13-1

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Product Details of [ 6531-13-1 ]

CAS No. :6531-13-1
Formula : C8H9NO3
M.W : 167.16
SMILES Code : CC(O)C1=CC=C([N+]([O-])=O)C=C1
MDL No. :MFCD00024762
Boiling Point : No data available
InChI Key :CRJFHXYELTYDSG-UHFFFAOYSA-N
Pubchem ID :592376

Safety of [ 6531-13-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-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 [ 6531-13-1 ]

* 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.

  • Downstream synthetic route of [ 6531-13-1 ]

[ 6531-13-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6531-13-1 ]
  • [ 19935-81-0 ]
YieldReaction ConditionsOperation in experiment
49% With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 1.5h;Heating / reflux; Asolution of 1-ethyl-4-nitrobenzene (10.0 g, 66 mmol), N-bromosuccinamide (11.8g, 66 mmol) and benzoyl peroxide (160 mg, 0.66 mmol) in CCI4 (100 (mL) was heated to reflux for 1.5 hrs. The reaction mixture was then cooled to 0 0C and filtered through a fritted funnel. The isolated solid was washed once with hexane (50 mL) and the combined filtrates were concentrated and purified by column chromatography (2-5% EtOAc/Hex) to afford 1-(1-bromoethyl)-4-nitrobenzene (7.52 g, 49%). 1H NMR (400 MHz, ' CDCI3) delta 8.21 (d, 2 H), 7.58 (d, 2 H), 5.22 (q, 1 H), 2.05 (d, 3 H).
  • 2
  • [ 19935-81-0 ]
  • [ 6531-13-1 ]
 

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