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Chemical Structure| 127972-02-5 Chemical Structure| 127972-02-5

Structure of 127972-02-5

Chemical Structure| 127972-02-5

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Product Details of [ 127972-02-5 ]

CAS No. :127972-02-5
Formula : C8H9BO4
M.W : 179.97
SMILES Code : COC1=C(C=C(C=O)C=C1)B(O)O
MDL No. :MFCD01319044
InChI Key :NKKNXLPHCRLBDY-UHFFFAOYSA-N
Pubchem ID :2734367

Safety of [ 127972-02-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 127972-02-5 ]

* 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 [ 127972-02-5 ]

[ 127972-02-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 5676-56-2 ]
  • [ 127972-02-5 ]
  • [ 628710-94-1 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; toluene; for 20h;Heating / reflux; A solution of [5-FORMYL-2-METHOXYBENZENEBORONIC] acid [(1] g, 5.6 mmol), 2- methyl-5-bromobenzoxazole (1 g, 4.72 mmol) and [K2CO3] (1.63 g, 11.8 mmol) in ethanol (20 mL) and toluene (40 mL) was degassed prior to addition of Pd (Ph3) 4 (55 mg, 0.047 mmol). The mixture was refluxed for 20 hours then cooled and filtered through diatomaceous earth. The filtrate was concentrated in vacuo, extracted with ethyl acetate, washed with water and the organic layer dried over sodium sulphate. The crude was purified by column chromatography (heptane/ethyl acetate 7/3 to 6/4) to give 1.13 g of title compound. [C16HL3NO4] Mass (calculated): [267]; (found): [M+H+] : 268. NMR (400 MHz, [CDC13)] : 2.6 (3H, s, CH3) ; 3.85 (3H, s, CH30) ; 7.05 [(1H,] d,, JI = [8 HZ, ARYL-H); 7.35 (1H, D, , J = 8 HZ, ARYL-H); 7.45 (1H, D, , J = 8 HZ, ARYL-H);] 7.75 [(1H,] s, aryl-H); 7.8-7. 85 (2H, m, aryl-H); 9.9 [(1H,] s, CHO).
  • 2
  • [ 1139-52-2 ]
  • [ 127972-02-5 ]
  • 3-(3,5-di-t-butyl-4-hydroxyphenyl)-3-methoxybenzaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
61% With potassium carbonate;tetrakis(triphenylphosphine)palladium (0); In 1,2-dimethoxyethane; water; The intermediate 3-(3,5-di-t-butyl-4-hydroxyphenyl)-3-methoxybenzaldehyde was prepared in a manner similar to the procedure described in Example 1b using 4-bromo-2,6-di-t-butylphenol (0.50 g, 1.75 mmol), 2-methoxy-5-formylphenyl boronic acid (0.315 g, 1.75 mmol), tetrakis(triphenylphosphine)palladium(0) (0.20 g, 0.175 mmol), K2CO3 (0.95 g, 7.0 mmol), dimethoxyethane (15 mL) and H2O (1 mL); 367 mg, 61percent yield. 1H NMR (500 MHz; CDCl3) 1.48 (s, 18H), 3.93 (s, 3H), 5.30 (s, 1H), 7.08 (d, J=8.0 Hz, 1H), 7.36 (s, 2H), 7.80-7.85 (m, 2H), 9.94 (s, 1H).
 

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