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Chemical Structure| 136-72-1 Chemical Structure| 136-72-1

Structure of 136-72-1

Chemical Structure| 136-72-1

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Product Details of [ 136-72-1 ]

CAS No. :136-72-1
Formula : C12H10O4
M.W : 218.21
SMILES Code : O=C(O)/C=C/C=C/C1=CC=C(OCO2)C2=C1
MDL No. :MFCD00047282
InChI Key :RHBGITBPARBDPH-ZPUQHVIOSA-N
Pubchem ID :5370536

Safety of [ 136-72-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P264-P270-P301+P310+P330-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 136-72-1 ]

* 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 [ 136-72-1 ]

[ 136-72-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 130596-62-2 ]
  • [ 136-72-1 ]
  • [ 1622904-96-4 ]
  • 2
  • [ 130596-62-2 ]
  • [ 136-72-1 ]
  • [ 1622904-95-3 ]
YieldReaction ConditionsOperation in experiment
71% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 27℃; for 8h; To a solution of (2£,4£)-5-(benzo[d][l,3]dioxol-5-yl)penta-2,4-dienoic acid, 1(188 mg, 0.86 mmol) in dry DCM, EDC.HC1 (215 mg, 1.1 mmol), HOBt (151 mg, 1.1 mmol) and diisopropylethylamine (0.45 mL, 2.6 mmol) at 0 C was added. Then the silapiperidine salt, 2 (171 mg, 1.0 mmol) was added and stirred at RT (i.e. 27C) for 8 h. The reaction was quenched by the addition of water and the organic layer was separated, washed with saturated NaHCC , IN HC1, dried over Na2S04 and concentrated under reduced pressure. This crude mixture was purified by column chromatography using pet ether- ethyl acetate (70:30) to give the title compound (200 mg, 71 % yield) as a yellow viscous liquid. IR Umax(film): cm 1 2925, 1635, 1591, 1490, 1446, 1252; NMR (400 MHz, CDC13): delta 7.44 (ddd, J = 14.2, 6.9, 2.8 Hz, 1H), 6.99 (s, 1H), 6.90 (d, J = 7.8 Hz, 1H), 6.79-6.75 (m, 3H), 6.46 (d, J= 14.7 Hz, 1H), 5.98 (s, 2H), 3.79 (t, J = 6.4 Hz, 2H), 3.71 (t, J = 6.2 Hz, 2H), 0.90-0.78 (m, 4H), 0.11 (s, 6H); i3C NMR (100 MHz, CDCI3) : delta 165.7, 148.3, 148.2, 142.8, 138.4, 131.1, 125.5, 122.6, 120.1, 108.6, 105.7, 101.4, 45.6, 42.8, 15.7, 13.9, -2.9 (2C).
  • 3
  • [ 78364-55-3 ]
  • [ 136-72-1 ]
  • C19H14FN3O3S [ No CAS ]
 

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