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[ CAS No. 10242-10-1 ]

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2D
Chemical Structure| 10242-10-1
Chemical Structure| 10242-10-1
Structure of 10242-10-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 10242-10-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 10242-10-1 ]

SDS

Product Details of [ 10242-10-1 ]

CAS No. :10242-10-1MDL No. :MFCD00060512
Formula : C9H5ClO3 Boiling Point : 348.8°C at 760 mmHg
Linear Structure Formula :-InChI Key :JETRXAHRPACNMA-UHFFFAOYSA-N
M.W :196.59Pubchem ID :937838
Synonyms :

Computed Properties of [ 10242-10-1 ]

TPSA : 50.4 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 10242-10-1 ]

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

Application In Synthesis of [ 10242-10-1 ]

  • Upstream synthesis route of [ 10242-10-1 ]
  • Downstream synthetic route of [ 10242-10-1 ]

[ 10242-10-1 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 685-87-0 ]
  • [ 635-93-8 ]
  • [ 10242-10-1 ]
YieldReaction ConditionsOperation in experiment
55.5% With potassium hydroxide; potassium carbonate In ethanol; water; butanone Preparation 5
5-Chlorobenzofuran-2-carboxylic acid.
A suspension of 5-chlorosalicyl aldehyde (10.62 g, 67.8 mmol), ethyl bromomalonate (25.3 g, 105.8 mmol) and anhydrous potassium carbonate (9.37 g, 67.8 mmol) in ethylmethylketone (50 ml) was refluxed for 5 hours, then kept under stirring at RT overnight.
The solvent was evaporated and the residue was diluted with water (500 ml), then the pH was neutralized with 1N HCl.
The suspension was extracted with Et2 O, then the organic phase was dried (MgSO4) and concentrated.
The oily residue was dissolved in absolute EtOH (50 ml) and added to a 10percent ethanolic solution of KOH.
The thick suspension was refluxed under vigorous stirring overnight then after cooling to RT the solvent was taken off and water was added.
The aqueous phase was washed with Et2 O, then the pH adjusted to 2 with 1N HCl.
The aqueous suspension was extracted with EtOAc and the organic phase after drying (MgSO4) and concentration produced pure title compound (7.4 g, 37.6 mmol, yield 55.5percent) as a yellow oil.
Reference: [1] Patent: US6025390, 2000, A
[2] Gazzetta Chimica Italiana, 1955, vol. 85, p. 381,388
[3] Patent: US4332952, 1982, A
[4] Patent: US4342771, 1982, A
  • 2
  • [ 59962-89-9 ]
  • [ 10242-10-1 ]
Reference: [1] Heterocycles, 2010, vol. 81, # 12, p. 2865 - 2872
[2] Journal of Medicinal Chemistry, 2013, vol. 56, # 10, p. 4093 - 4103
[3] Journal of Medicinal Chemistry, 1984, vol. 27, # 5, p. 570 - 576
[4] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 1, p. 71 - 74
[5] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 24, p. 8206 - 8220
[6] Patent: WO2015/164482, 2015, A1. Location in patent: Page/Page column 21
  • 3
  • [ 635-93-8 ]
  • [ 10242-10-1 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 1, p. 71 - 74
[2] Journal of Medicinal Chemistry, 2013, vol. 56, # 10, p. 4093 - 4103
  • 4
  • [ 1927-94-2 ]
  • [ 10242-10-1 ]
Reference: [1] Patent: WO2015/164482, 2015, A1
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