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Chemical Structure| 1369328-62-0 Chemical Structure| 1369328-62-0

Structure of 1369328-62-0

Chemical Structure| 1369328-62-0

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Product Details of [ 1369328-62-0 ]

CAS No. :1369328-62-0
Formula : C9H7BO3S2
M.W : 238.09
SMILES Code : O=CC1=CC=C(C2=CC=C(B(O)O)S2)S1
MDL No. :MFCD11973889
InChI Key :RDIOTSOSMWVMSX-UHFFFAOYSA-N
Pubchem ID :44629969

Safety of [ 1369328-62-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 1369328-62-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1369328-62-0 ]

[ 1369328-62-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1369328-62-0 ]
  • [ 2620-76-0 ]
  • 5'-(4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-[2,2'-bithiophene]-5-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
59.6% With dichloro bis((p-dimethylaminophenyl)-ϖ-di-tert-butylphosphine)palladium(II); tetrabutylammomium bromide; sodium fluoride; In water; N,N-dimethyl-formamide; at 75℃; for 5h; In a 100mL 3-necked flask, <strong>[2620-76-0]2-(4-bromophenyl)-1-phenyl-1H-benzo[d]imidazole</strong> (1) (1.0g,2.86 mmol), (5'-formyl-[2,2'-bithiophen]-5-yl)boronic acid(750 mg, 3.15 mmol), tetra-n-butylammonium bromide (TBAB)(277 mg, 0.86 mmol), N,N-dimethylformamide (DMF) (40 mL),Pd(amphos)Cl2 (20 mg, 0.03 mmol), H2O (8 mL), and NaF (300 mg,7.16 mmol) were added in turn. Following this, the reaction mixturewas stirred for 5 h at 75 C and then poured into dichloromethane (DCM). The organic layer was washed with water and dried overanhydrous MgSO4. After removing the solvent, the crude productobtained was purified by column chromatography (PE/DCM 1/1,v/v; where PE is petroleum ether, boiling range: 60-90 C) to give ayellow solid (790 mg, 59.6% yield). 1H NMR (400 MHz, DMSO-d6):δ (ppm) 9.90 (s, 1H), 8.00 (d, J = 4.0 Hz, 1H), 7.81 (d, J = 7.3 Hz, 1H),7.72 (d, J= 8.5 Hz, 2H), 7.66 (d, J = 3.9 Hz, 1H), 7.63-7.62 (m, 1H),7.61-7.58 (m, 4H), 7.56 (d, J= 4.0 Hz, 1H), 7.48 (d, J = 6.6 Hz, 2H),7.36-7.27 (m, 3H), 7.21 (d, J= 8.1 Hz, 1H). 13C NMR (100 MHz,DMSO-d6): δ(ppm) 183.98, 151.70, 145.70, 144.51, 142.19, 139.07,137.82, 137.02, 136.45, 135.79, 134.40, 130.61, 130.35, 129.51, 128.58,128.04, 126.60, 125.79, 124.04, 123.41, 119.80, 110.98, 100.00. HRMS(ESI, m/z): [M+H]+ calcd. for (C28H19N2OS2): 463.0939, found:463.0934.
 

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