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Chemical Structure| 4165-96-2 Chemical Structure| 4165-96-2

Structure of 4165-96-2

Chemical Structure| 4165-96-2

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Product Details of [ 4165-96-2 ]

CAS No. :4165-96-2
Formula : C11H12O4
M.W : 208.21
SMILES Code : O=C(O)CC(C1=CC=CC=C1)CC(O)=O
MDL No. :MFCD00002718
InChI Key :RZOKZOYSUCSPDF-UHFFFAOYSA-N
Pubchem ID :77823

Safety of [ 4165-96-2 ]

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

Application In Synthesis of [ 4165-96-2 ]

* 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 [ 4165-96-2 ]

[ 4165-96-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4165-96-2 ]
  • [ 92289-14-0 ]
YieldReaction ConditionsOperation in experiment
94% a) 3-(4-Nitro-phenyl)-pentanedioic acid A flask charged with concentrated H2SO4 (400 mL) was cooled to 0 C. and treated with 50.0 g (240 mmol) of 3-phenyl-pentanedioic acid portionwise over 20 min and with fuming HNO3 (10 mL) dropwise over 20 min. The mixture was stirred at RT for 3 h, poured over ice (amount equivalent to 1000 mL), and the precipitate was filtered, washed with cold water, air-dried, and dried in a vacuum dessicator. The solid was triturated with a minimum amount of CH3CN, filtered, and air-dried. The filtrate was concentrated and triturated again with a minimum amount of CH3CN, filtered, and air-dried to afford a second batch. The two batches were combined to afford 56.9 g (94%) of the title compound as an off-white solid: 1H-NMR (DMSO-d6; 400 MHz): δ 8.15 (d, 2H, J=8.8 Hz), 7.58 (d, 2H, J=8.8 Hz), 3.62-3.50 (m, 1H), 2.79-2.57 (m, 4H).
 

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