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[ CAS No. 72316-17-7 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 72316-17-7
Chemical Structure| 72316-17-7
Structure of 72316-17-7 *Storage: {[proInfo.prStorage]}

Quality Control of [ 72316-17-7 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 72316-17-7 ]

SDS

Product Details of [ 72316-17-7 ]

CAS No. :72316-17-7MDL No. :MFCD03427284
Formula :C9H11BO2Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :161.99Pubchem ID :6019835
Synonyms :

Computed Properties of [ 72316-17-7 ]

TPSA : 40.5 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.11 Rotatable Bond Count : 2

Safety of [ 72316-17-7 ]

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

Application In Synthesis of [ 72316-17-7 ]

  • Upstream synthesis route of [ 72316-17-7 ]

[ 72316-17-7 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 766-97-2 ]
  • [ 274-07-7 ]
  • [ 72316-17-7 ]
YieldReaction ConditionsOperation in experiment
48%
Stage #1: for 18.00 h; Reflux
Stage #2: at 20℃; for 4.00 h;
[00140] 1-Ethynyl-4-methylbenzene (0.50 mL, 3.94 mmol, 1.00 eq) and catecholborane (0.50 mL, 4.73 mmol, 1 .20 eq) were dissolved in THF (1 .5 mL) and the mixture was refluxed for 18h. The solvent was evaporated and then H20 (1 mL) was added. The suspension was vigorously stirred for 4 h at room temperature. The solid was filtered and recrystallized with water. (E)-5-phenylpent-1-en-1-ylboronic acid (309.4 mg, 1.90 mmol, 48percent) was then filtered and dried under vacuum.1H NMR (400 MHz, DMSO-d6) OH /ppm 7.73 (5, 2H), 7.36 (d, J= 7.9 Hz, 2H), 7.18 (d, J= 7.9 Hz, 2H), 6.05 (d, J= 18.3 Hz, 1H), 2.31 (5, 3H).13C NMR (101 MHz, DMSO) Oc /ppm: 146.2, 138.4, 135.4, 129.8 (20), 127.0 (20), 21 .3.
Reference: [1] Patent: WO2016/198836, 2016, A1. Location in patent: Paragraph 00140
[2] Organic Letters, 2014, vol. 16, # 13, p. 3444 - 3447
  • 2
  • [ 766-97-2 ]
  • [ 72316-17-7 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 11, p. 2803 - 2807
[2] Journal of Medicinal Chemistry, 2001, vol. 44, # 13, p. 2133 - 2138
[3] Angewandte Chemie - International Edition, 2011, vol. 50, # 2, p. 519 - 522
[4] Australian Journal of Chemistry, 2011, vol. 64, # 1, p. 62 - 67
[5] Organic and Biomolecular Chemistry, 2015, vol. 13, # 26, p. 7136 - 7139
[6] Advanced Synthesis and Catalysis, 2018, vol. 360, # 19, p. 3667 - 3671
  • 3
  • [ 766-97-2 ]
  • [ 72316-17-7 ]
Reference: [1] Patent: EP1018514, 2000, A1
  • 4
  • [ 149777-84-4 ]
  • [ 72316-17-7 ]
Reference: [1] Organic and Biomolecular Chemistry, 2015, vol. 13, # 26, p. 7136 - 7139
[2] Advanced Synthesis and Catalysis, 2018, vol. 360, # 19, p. 3667 - 3671
  • 5
  • [ 174153-82-3 ]
  • [ 72316-17-7 ]
Reference: [1] Australian Journal of Chemistry, 2011, vol. 64, # 1, p. 62 - 67
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