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Chemical Structure| 1396007-85-4 Chemical Structure| 1396007-85-4

Structure of 1396007-85-4

Chemical Structure| 1396007-85-4

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Product Details of [ 1396007-85-4 ]

CAS No. :1396007-85-4
Formula : C17H23BO4
M.W : 302.17
SMILES Code : O=C(C1(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1)OC
MDL No. :MFCD18383383
InChI Key :XQQDYMOXTLWTIM-UHFFFAOYSA-N
Pubchem ID :71264507

Safety of [ 1396007-85-4 ]

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

Application In Synthesis of [ 1396007-85-4 ]

* 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 [ 1396007-85-4 ]

[ 1396007-85-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 19745-07-4 ]
  • [ 1396007-85-4 ]
  • methyl 1-[4-(5-chloropyrazin-2-yl)phenyl]cyclopropanecarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
57.6% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 100℃; for 3h;Inert atmosphere; Add [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (0.445 g, 0.596 5 mmol) to the suspensions ofmethyl1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)phenyl]cyclo propanecarboxylate (2.00 g, 5.4 mmol,), sodium carbonate (1.26 g, 11.9 mmol) and <strong>[19745-07-4]2,5-dichloropyrazine</strong> (8.93 mmol) in 1,4-dioxane (20 mL) and water (4 mL) under N2. Then the reaction mixture is stirred at 100 oc for 3 h under N2. The reaction mixture is concentrated to give a black solid. The mixture is diluted with water (20 mL) and 10 extracted with EtOAc (30 mL x 3). The combined organic layers are washed with brine (20 mL), dried over anhydrous Na2S04, filtered and evaporated to afford the crude product. The crude product is purified by flash chromatography eluting with petroleum ether: EtOAc (1 :2) to afford title compound (1.0 g 57.6percent) as a yellow solid, LCMS (m/z): 288.9 [M+Ht. 1H NMR (400 MHz, CD3Cl) 8 = 8.80 (d, J = 1.2 Hz, 1H), 8.65 (d, J = 1.2 Hz, 1H), 7.96 (d, J 15 = 8.4 Hz, 2H), 7.51 (d, J= 8.4 Hz, 2H), 3.67 (s, 3H), 1.72- 1.66 (m, 2H), 1.28- 1.23 (m, 2H)
 

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