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Chemical Structure| 1083168-92-6 Chemical Structure| 1083168-92-6

Structure of 1083168-92-6

Chemical Structure| 1083168-92-6

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Product Details of [ 1083168-92-6 ]

CAS No. :1083168-92-6
Formula : C13H20BNO4
M.W : 265.11
SMILES Code : COC1=CC(B(OC2(C)C)OC2(C)C)=CN=C1OC
MDL No. :MFCD11857651
InChI Key :CJHRJDZURRUHSH-UHFFFAOYSA-N
Pubchem ID :45361770

Safety of [ 1083168-92-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1083168-92-6 ]

* 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 [ 1083168-92-6 ]

[ 1083168-92-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 474706-74-6 ]
  • [ 1083168-92-6 ]
  • [ 1246184-32-6 ]
YieldReaction ConditionsOperation in experiment
With potassium acetate;bis[di-t-butyl(p-dimethylaminophenyl)phosphino]palladium (II) Dichloride; In water; butan-1-ol; at 100℃; for 20h;Inert atmosphere; (3) 6-Bromo-3-(5,6-dimethoxy-3-pyridinyl)imidazo[l,2-a]pyridine.; To a 100 rnL round bottomed flask was added 2,3-dimethoxy-5-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan- 2-yl)pyridine (0.80 g, 3.02 mmol, prepared from the corresponding bromide), 6-bromo-3- iodoimidazo[l,2-a]pyridine (1.17 g, 3.62 mmol), A-phos (Bis[(di-tert-butylphenyl phosphine)]palladium dichloride) (0.094 g, 0.15 mmol), potassium acetate (0.74 g, 7.54 mmol), water (1.5 mL), and 1-butanol (15 mL). The reaction was then heated at 100 0C under N2 for 20 h. After cooled to rt, the 1 -butanol was concentrated. The residue was partitioned between water/CHCl3. The organic layer was dried over MgSO4 and concentrated. The crude product was purified using SiO2 chromatography (Teledyne Isco RediSep, 12 g SiO2 catridge, methylene chloride/ethyl acetate/methanol = 55% /43%/2%, Flow = 30 niL/min). A peak at 18 min was collected. The solvent was removed in vacuo to afford the desired product as brown solid (450 mg). MS (ESI pos. ion) m/z: 333.9. Calcd exact mass for Ci4Hi2BrN3O2: 333.0. 1U NMR (300 MHz, CHLOROFORM-^) delta ppm 3.95 (s, 3 H) 4.11 (s, 3 H) 7.14 (s, 1 H) 7.31 (d, J=9.50 Hz, 1 H) 7.63 (d, J=9.50 Hz, 1 H) 7.69 (s, 1 H) 7.94 (s, 1 H) 8.35 (s, 1 H).
 

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