[ CAS No. 4687-25-6 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 4687-25-6
Chemical Structure| 4687-25-6
Structure of 4687-25-6

Quality Control of [ 4687-25-6 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 4687-25-6 ]

SDS

Product Details of [ 4687-25-6 ]

CAS No. :4687-25-6MDL No. :MFCD03412541
Formula :C9H6O2Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :146.14Pubchem ID :12394139
Synonyms :

Computed Properties of [ 4687-25-6 ]

TPSA : 30.2 H-Bond Acceptor Count : 2
XLogP3 : 1.8 H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 4687-25-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305 P351 P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4687-25-6 ]

  • Upstream synthesis route of [ 4687-25-6 ]
  • Downstream synthetic route of [ 4687-25-6 ]

[ 4687-25-6 ] Synthesis Path-Upstream   1~12

  • 1
  • [ 21535-97-7 ]
  • [ 4687-25-6 ]
YieldReaction ConditionsOperation in experiment
74% With selenium(IV) oxide In 1,4-dioxane for 24.00 h; Reflux 3 -methyl benzofuran (200 mg, 0.19 ml, 1.5 mmol) and Se02 (200 mg, 1.8 mmol, 1.2 eq.) weresuspended in 1,4-dioxane (3 ml) and heated to reflux for 24 hours. The reaction mixture was allowed to cool, then diluted with EtOAc/hexane (2:1 v/v, 10 ml) and filtered through a short plug of silica to remove selenium residues. The silica plug was washed with EtOAc (2 x 3 ml) and the combined organic filtrate was evaporated to dryness and purified by silica gel column chromatography (hexane/EtOAc 96:4) to afford a yellow oil (162 mg, 1.1 mmol, 74 percent yield) . XH NMR (300 MHz, CDC13) δ 10.18 (s, 1H) , 8.26 (s, 1H) , 8.19 (m, 1H) , 7.54 (m, 1H) , 7.41 (m, 2H) ; ESI m/z = 147.0 (MH)+, calc . for C9H702 = 147.04.
Reference: [1] Organic and Biomolecular Chemistry, 2008, vol. 6, # 2, p. 296 - 307
[2] Heterocycles, 2001, vol. 55, # 3, p. 569 - 577
[3] Tetrahedron Asymmetry, 2008, vol. 19, # 4, p. 500 - 511
[4] Patent: WO2012/110833, 2012, A2. Location in patent: Page/Page column 123
[5] Angewandte Chemie - International Edition, 2015, vol. 54, # 31, p. 9021 - 9024[6] Angew. Chem., 2015, vol. 127, p. 9149 - 9152,4
[7] Chemistry - A European Journal, 2006, vol. 12, # 10, p. 2739 - 2744
[8] Patent: WO2009/85256, 2009, A1. Location in patent: Page/Page column 39-40; 50
[9] Journal of Medicinal Chemistry, 2008, vol. 51, # 19, p. 6095 - 6109
[10] Molecules, 2011, vol. 16, # 7, p. 5527 - 5537
[11] Journal of the American Chemical Society, 2016, vol. 138, # 1, p. 458 - 458
  • 2
  • [ 21535-97-7 ]
  • [ 4687-23-4 ]
  • [ 4687-25-6 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2007, vol. 15, # 17, p. 5981 - 5996
[2] Journal of Medicinal Chemistry, 2018, vol. 61, # 14, p. 6261 - 6276
  • 3
  • [ 4687-23-4 ]
  • [ 4687-25-6 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2000, vol. 8, # 1, p. 95 - 103
  • 4
  • [ 64175-51-5 ]
  • [ 4687-25-6 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1992, vol. 31, # 8, p. 526 - 528
[2] Journal of Organic Chemistry, 2009, vol. 74, # 3, p. 1237 - 1246
  • 5
  • [ 136229-42-0 ]
  • [ 4687-25-6 ]
Reference: [1] Australian Journal of Chemistry, 1991, vol. 44, # 7, p. 907 - 917
  • 6
  • [ 63815-27-0 ]
  • [ 4687-25-6 ]
Reference: [1] Chemistry - A European Journal, 2006, vol. 12, # 10, p. 2739 - 2744
[2] Angewandte Chemie - International Edition, 2015, vol. 54, # 31, p. 9021 - 9024[3] Angew. Chem., 2015, vol. 127, p. 9149 - 9152,4
  • 7
  • [ 1878-62-2 ]
  • [ 4687-25-6 ]
Reference: [1] Chemistry - A European Journal, 2006, vol. 12, # 10, p. 2739 - 2744
[2] Angewandte Chemie - International Edition, 2015, vol. 54, # 31, p. 9021 - 9024[3] Angew. Chem., 2015, vol. 127, p. 9149 - 9152,4
  • 8
  • [ 118-93-4 ]
  • [ 4687-25-6 ]
Reference: [1] Chemistry - A European Journal, 2006, vol. 12, # 10, p. 2739 - 2744
[2] Angewandte Chemie - International Edition, 2015, vol. 54, # 31, p. 9021 - 9024[3] Angew. Chem., 2015, vol. 127, p. 9149 - 9152,4
  • 9
  • [ 26537-68-8 ]
  • [ 4687-25-6 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2000, vol. 8, # 1, p. 95 - 103
  • 10
  • [ 38281-60-6 ]
  • [ 4687-25-6 ]
Reference: [1] Australian Journal of Chemistry, 1991, vol. 44, # 7, p. 907 - 917
  • 11
  • [ 7169-34-8 ]
  • [ 4687-25-6 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1992, vol. 31, # 8, p. 526 - 528
  • 12
  • [ 82156-58-9 ]
  • [ 4687-25-6 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1992, vol. 31, # 8, p. 526 - 528
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