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Chemical Structure| 850568-56-8 Chemical Structure| 850568-56-8

Structure of 850568-56-8

Chemical Structure| 850568-56-8

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Product Details of [ 850568-56-8 ]

CAS No. :850568-56-8
Formula : C10H15BO2
M.W : 178.04
SMILES Code : CCC(C1=CC=C(B(O)O)C=C1)C
MDL No. :MFCD02179456
InChI Key :CHSPURIZKQPJNH-UHFFFAOYSA-N
Pubchem ID :3690874

Safety of [ 850568-56-8 ]

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

Application In Synthesis of [ 850568-56-8 ]

* 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 [ 850568-56-8 ]

[ 850568-56-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 850568-56-8 ]
  • [ 309947-86-2 ]
  • C25H33N5O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With copper diacetate; triethylamine; In N,N-dimethyl-formamide; at 20℃; for 96h;Molecular sieve; General procedure: To a solution of 3 (100 mg, 0.30 mmol), 4-sec-butylphenylboronic acid (110 mg, 0.62 mmol),and triethylamine (60 muL) in dry DMF (1.5 mL) was added copper (II) acetate (90 mg, 0.50mmol) and 5A molecular sieves (300 mg). The resulting mixture was stirred for 4 days atambient temperature under air. Volatiles were evaporated and the crude material was redissolvedin dry MeOH (4.0 mL). To this solution K2CO3 (100 mg, 0.72 mmol) was added andthe mixture was stirred for 12 h at ambient temperature. Volatiles were evaporated and the crudewas partitioned (CH2Cl2//H2O). The organic layer was separated and dried over Na2SO4. Flashchromatography (70% EtOAc/Hexanes) gave 6b (50 mg, 0.14 mmol, 47%). 1H NMR (CDCl3,500MHz) delta 9.00 (s, 1H), 8.79 (s, 1H), 8.22 (s, 1H), 7.56 (d, J = 8.0 Hz, 2H), 7.34 (d, J = 8.5 Hz,2H), 2.64 (sext, J = 7.0 Hz, 1H), 1.59 (pent, J = 7.3 Hz, 2H), 1.52 (s, 9H), 1.23 (d, J = 7.0 Hz,3H), 0.81 (t, J = 7.3 Hz, 3H); 13C NMR (CDCl3, 125 MHz) delta 153.5, 151.1, 150.5, 150.1, 148.4, 141.7, 131.9, 128.5, 123.5, 82.1, 41.4, 31.0, 28.1, 21.8, 12.2; HRMS [M+H] = 368.2093;C20H26N5O2 = 368.2087.
 

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