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Chemical Structure| 885068-00-8 Chemical Structure| 885068-00-8

Structure of 885068-00-8

Chemical Structure| 885068-00-8

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Product Details of [ 885068-00-8 ]

CAS No. :885068-00-8
Formula : C10H13BO4
M.W : 208.02
SMILES Code : CC(C)(C1=CC=CC(B(O)O)=C1)C(O)=O
MDL No. :MFCD16652406

Safety of [ 885068-00-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 885068-00-8 ]

* 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 [ 885068-00-8 ]

[ 885068-00-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 885068-00-8 ]
  • [ 1074-40-4 ]
  • [ 1098269-51-2 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate;palladium diacetate; triphenylphosphine; In 1,2-dimethoxyethane; water; at 50.0℃; for 3.0h; Step 1: To an 1 -L reactor are added <strong>[1074-40-4]4,6-dichloro-2-methoxy-pyrimidine</strong> (50.1 g), K2CO3 (96.4 g,), Pd(OAc)2 (48 mg, 0.1 molpercent) and PPh3 (120 mg, 0.2 molpercent) in DME/water (100 mL/200 mL). The mixture is heated to 5O°C, while 3-(l-carboxy-l-methyl-ethyl)-phenyl boronic acid (51.6 g, 94wtpercent purity) in DME (50 mL)/water (100 mL) is added over 2 h via a metering pump. The reaction is held at 5O°C for an additional hour. The mixture is cooled to 25°C and toluene (250 mL) is added. The mixture is stirred for 15 min and the layers are separated. To the aqueous layer is added n-BuOAc (300 mL) and pH is adjusted to 7.2 with 4 M aqueous HCl (~ 190 mL). The aqueous layer is extracted with n-BuOAc (2 x 300 mL). The combined organic layers are treated with TMT (3.2 g) and charcoal (6.4 g) at 7O°C for 3 h. The mixture is allowed to cool to 25°C and filtered through celite. The filtrate is extracted twice with an aqueous K2CO3 solution (31.8 g OfK2CO3 in 320 mL of water). The combined aqueous layers are used directly in the next step.
 

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