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Chemical Structure| 216019-35-1 Chemical Structure| 216019-35-1

Structure of 216019-35-1

Chemical Structure| 216019-35-1

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Product Details of [ 216019-35-1 ]

CAS No. :216019-35-1
Formula : C7H9BO3
M.W : 151.96
SMILES Code : CC1=C(O)C=C(C=C1)B(O)O
MDL No. :MFCD01074652
InChI Key :BVFGFBGCIAWVMF-UHFFFAOYSA-N
Pubchem ID :4187664

Safety of [ 216019-35-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 216019-35-1 ]

* 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 [ 216019-35-1 ]

[ 216019-35-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1221819-46-0 ]
  • [ 216019-35-1 ]
  • [ 1421253-20-4 ]
YieldReaction ConditionsOperation in experiment
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium hydroxide; In 1,4-dioxane; water; at 20℃; 13-B. 2-Methyl-5-(3-((phenylsulfonyl)methyl)oxetan-3-yl)phenol.A solution of KOH (1.5 M in water, 14.2 mL, 21.3 mmol) was added to a solution of [Rh(cod)Cl]2 (0.525 g, 1.07 mmol) in dioxane (60 mL). The resulting yellow solution was stirred for 1 min. Then, 3-hydroxy- 4-methylphenyl boronic acid (6.48 g, 42.6 mmol) and a solution of <strong>[1221819-46-0]3-((phenylsulfonyl)methylene)oxetane</strong> (4.48 g, 21.3 mmol) in dioxane (40 mL) were added in that order. After 1 h, a solution of KOH (1.5 M in water, 14.2 mL, 21.3 mmol) was added. After another 10 min, [Rh(cod)Cl]2 (0.525 g, 1.07 mmol) was added. The resulting mixture was stirred at room temperature overnight, and then partitioned between Et20 and aqueous NH4C1. The aqueous layer was extracted with Et20 (3X). (During extractions, some solids crashed out in the organic layer, but went back into solution over time). The combined organic layers were dried (Na2S04), filtered, and concentrated. The dark orange residue was purified by silica gel chromatography (30-100% EtOAc/heptane) to provide 2-methyl-5-(3-((phenylsulfonyl)methyl)oxetan-3- yl)phenol. lU NMR (400 MHz, CD2C12) delta ppm 7.52 - 7.63 (m, 3 H) 7.41 (t, J=T Hz, 2 H) 6.99 (d, J=7.83 Hz, 1 H) 6.57 (dd, J=7.83, 1.77 Hz, 1 H) 6.50 (d, J=2.02 Hz, 1 H) 4.99 (d, J=6.57 Hz, 2 H) 4.91 (d, J=6.57 Hz, 2 H) 4.03 (s, 2 H) 2.20 (s, 3 H)
 

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