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[ CAS No. 59-67-6 ]

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2D
Chemical Structure| 59-67-6
Chemical Structure| 59-67-6
Structure of 59-67-6 *Storage: {[proInfo.prStorage]}

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Product Details of [ 59-67-6 ]

CAS No. :59-67-6MDL No. :MFCD00006391
Formula : C6H5NO2 Boiling Point : 292.4°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :123.11Pubchem ID :938
Synonyms :

Computed Properties of [ 59-67-6 ]

TPSA : 50.2 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 59-67-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P273-P280-P305+P351+P338UN#:N/A
Hazard Statements:H319-H402Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 59-67-6 ]

  • Upstream synthesis route of [ 59-67-6 ]
  • Downstream synthetic route of [ 59-67-6 ]

[ 59-67-6 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 59-67-6 ]
  • [ 149246-87-7 ]
Reference: [1] Patent: WO2015/97122, 2015, A1,
  • 2
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  • [ 1120-90-7 ]
YieldReaction ConditionsOperation in experiment
65% With N-iodo-succinimide; [4,4’-bis(tert-butyl)-2,2’-bipyridine]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]iridium(III) hexafluorophosphate; iodine; caesium carbonate In acetonitrile at 50℃; for 24 h; Inert atmosphere; Irradiation; Sealed tube General procedure: To a 15 mL test tube with septum Cs2CO3 (0.6 mmol, 195 mg), aromaticcarboxylic acid (1) (0.3 mmol), [Ir(dF(CF3)ppy)2dtbbpy]PF6 (D) (6 μmmol, 6.7 mg), NIS (1.5mmol, 337.5 mg) and I2 (60 μmol, 20 molpercent) were added. The tube was evacuated and backfilledwith argon for three times, and then 3 mL of dry CH3CN was added through a syringer underargon. The tube was sealed with Parafilm M® and placed in an oil bath with a contact thermometer,and the reaction was carried out at 50 °C under irradiation with 6 × 5 W blue LEDs (λmax = 455nm). After 24 h, the resulting mixture was filtered through a 2 cm thick pad of silica, and the silicawas washed with DCM) (50 mL). The filtrate was collected and the solvent was removed in vacuo.The crude residue was purified by silica gel flash column chromatography to provide the targetproduct (2). (Note: The reaction was very sensitive to moisture, and the yields sharply decreased to less than 5percent when 0.01 equivalent of H2O was added to the reaction system).
Reference: [1] Synlett, 2018, vol. 29, # 12, p. 1572 - 1577
[2] Journal of Organic Chemistry, 1983, vol. 48, # 19, p. 3297 - 3301
[3] Journal of Organic Chemistry, 1983, vol. 48, # 19, p. 3297 - 3301
[4] Heterocycles, 1981, vol. 16, # 1, p. 132
  • 3
  • [ 500-22-1 ]
  • [ 100-55-0 ]
  • [ 59-67-6 ]
Reference: [1] Organic Letters, 2005, vol. 7, # 26, p. 5893 - 5895
[2] Tetrahedron Letters, 2006, vol. 47, # 32, p. 5771 - 5774
[3] Tetrahedron Letters, 1998, vol. 39, # 46, p. 8437 - 8440
[4] Tetrahedron Letters, 1999, vol. 40, # 6, p. 1179 - 1180
  • 4
  • [ 59-67-6 ]
  • [ 100-55-0 ]
Reference: [1] Journal of Chemical Research - Part S, 2003, # 8, p. 522 - 525
[2] Journal of the Chemical Society - Perkin Transactions 1, 1996, # 16, p. 1993 - 1994
  • 5
  • [ 500-22-1 ]
  • [ 1342295-75-3 ]
  • [ 100-55-0 ]
  • [ 59-67-6 ]
Reference: [1] Organic and Biomolecular Chemistry, 2011, vol. 9, # 20, p. 7023 - 7027
  • 6
  • [ 54-36-4 ]
  • [ 15825-89-5 ]
  • [ 6304-18-3 ]
  • [ 59-67-6 ]
  • [ 15031-77-3 ]
  • [ 37388-00-4 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1996, # 9, p. 1889 - 1894
  • 7
  • [ 54-36-4 ]
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  • [ 15031-77-3 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1997, vol. 45, # 2, p. 394 - 396
  • 8
  • [ 59-67-6 ]
  • [ 101012-32-2 ]
Reference: [1] Chinese Chemical Letters, 2011, vol. 22, # 9, p. 1009 - 1012
  • 9
  • [ 110-86-1 ]
  • [ 124-38-9 ]
  • [ 59-67-6 ]
  • [ 499-81-0 ]
  • [ 100-26-5 ]
  • [ 490-11-9 ]
Reference: [1] Chemical Physics, 2016, vol. 472, p. 173 - 184
  • 10
  • [ 59-67-6 ]
  • [ 10177-29-4 ]
Reference: [1] Patent: WO2005/21546, 2005, A1, . Location in patent: Page/Page column 125
  • 11
  • [ 59-67-6 ]
  • [ 148763-41-1 ]
Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 2, p. 181 - 191
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