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[ CAS No. 23000-12-6 ]

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2D
Chemical Structure| 23000-12-6
Chemical Structure| 23000-12-6
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Product Details of [ 23000-12-6 ]

CAS No. :23000-12-6MDL No. :MFCD09751268
Formula : C7H9NO2 Boiling Point : 203.678°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :139.15Pubchem ID :14738583
Synonyms :

Computed Properties of [ 23000-12-6 ]

TPSA : 43.1 H-Bond Acceptor Count : 3
XLogP3 : 1.2 H-Bond Donor Count : 0
SP3 : 0.43 Rotatable Bond Count : 1

Safety of [ 23000-12-6 ]

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

Application In Synthesis of [ 23000-12-6 ]

  • Upstream synthesis route of [ 23000-12-6 ]
  • Downstream synthetic route of [ 23000-12-6 ]

[ 23000-12-6 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 940879-48-1 ]
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YieldReaction ConditionsOperation in experiment
750 mg With manganese(IV) oxide In chloroform at 75℃; for 12 h; Preparation 50 l-(2,5-dimethyloxazol-4-yl)ethanone A mixture of l-(2,5-dimethyloxazol-4-yl)ethanol (1.2 g, 8.50 mmol) and Mn02 (3.70 g, 42.5 mmol) in chloroform (85 ml) was heated at 75 °C for 12 h, and the reaction mixture was then filtered through a pad of celite. The filtrate was evaporated in vacuo to give 1 - (2,5-dimethyloxazol-4-yl)ethanone (750 mg, 5.39 mmol, 63.4 percent yield) as a slightly yellow oil, which solidified upon standing at rt. NMR (500MHz, CHLOROFORM-d) δ 2.59 (s, 3H), 2.52 (s, 3H), 2.46 (s, 3H).
Reference: [1] Patent: WO2014/98831, 2014, A1, . Location in patent: Page/Page column 56
  • 2
  • [ 5440-23-3 ]
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Reference: [1] Journal of Medicinal Chemistry, 1992, vol. 35, # 14, p. 2617 - 2626
  • 3
  • [ 75-05-8 ]
  • [ 123-54-6 ]
  • [ 23000-12-6 ]
Reference: [1] Molecules, 2012, vol. 17, # 9, p. 11046 - 11055
  • 4
  • [ 35166-20-2 ]
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Reference: [1] Journal of the American Chemical Society, 1975, vol. 97, p. 6484 - 6491
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  • [ 127916-14-7 ]
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Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 13, p. 4011 - 4019
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  • [ 92901-88-7 ]
  • [ 23000-12-6 ]
Reference: [1] Patent: WO2014/98831, 2014, A1,
  • 7
  • [ 108-24-7 ]
  • [ 29917-12-2 ]
  • [ 23000-12-6 ]
Reference: [1] Chemische Berichte, 1951, vol. 84, p. 96,99
  • 8
  • [ 127916-13-6 ]
  • [ 23000-12-6 ]
Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 13, p. 4011 - 4019
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