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[ CAS No. 82788-37-2 ]

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2D
Chemical Structure| 82788-37-2
Chemical Structure| 82788-37-2
Structure of 82788-37-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 82788-37-2 ]

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Related Doc. of [ 82788-37-2 ]

SDS

Product Details of [ 82788-37-2 ]

CAS No. :82788-37-2MDL No. :MFCD11975072
Formula : C11H10O3 Boiling Point : -
Linear Structure Formula :-InChI Key :KLKMCBYWDLAIBA-UHFFFAOYSA-N
M.W :190.20Pubchem ID :13662978
Synonyms :

Computed Properties of [ 82788-37-2 ]

TPSA : 39.4 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.18 Rotatable Bond Count : 2

Safety of [ 82788-37-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 82788-37-2 ]

  • Upstream synthesis route of [ 82788-37-2 ]
  • Downstream synthetic route of [ 82788-37-2 ]

[ 82788-37-2 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 67-56-1 ]
  • [ 50779-65-2 ]
  • [ 82788-37-2 ]
YieldReaction ConditionsOperation in experiment
7.96 g With diazomethyl-trimethyl-silane In toluene at 20℃; for 6.00 h; To a solution of 6-methylbenzofuran-2-carboxylic acid (11 g, 62.4 mmol) in 468 mL of toluene and 156 mL of MeOH was added 2N TMS-CHN2 (46.8 mL, 94 mmol) dropwise at room temperature.The reaction was stirred at room temperature for 6 hr. The reaction was then quenched by addition of acetic acid dropwise at 0°C until the yellow color vanished, and gas evolution ceased. The reaction was concentrated under reduced pressure, and the residue was purified by silica gel flash chromatography, 100percent Heptane — 10percent Ethyl Acetate90percent Heptane, to give methyl 6- methylbenzofuran-2-carboxylate (7.96 g). 1H NMR (400 MHz, DMSO-d6) 6 2.46 (s, 3 H), 3.88 (s, 3H), 7.20 (dd, J = 8.3, 1.0 Hz, 1 H), 7.53 (s, 1 H), 7.67 (d, J = 8.1 Hz, 1 H), 7.71 (d, J = 1.0 Hz, 1 H).
Reference: [1] Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1952, vol. 10, p. 168
[2] Patent: WO2015/161052, 2015, A1. Location in patent: Page/Page column 48
  • 2
  • [ 698-27-1 ]
  • [ 82788-37-2 ]
Reference: [1] Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1952, vol. 10, p. 168
[2] Patent: WO2015/161052, 2015, A1
  • 3
  • [ 1874-23-3 ]
  • [ 78-79-5 ]
  • [ 82788-37-2 ]
  • [ 82788-34-9 ]
Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 50, p. 8711 - 8714
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