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Chemical Structure| 17061-86-8 Chemical Structure| 17061-86-8

Structure of 17061-86-8

Chemical Structure| 17061-86-8

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Product Details of [ 17061-86-8 ]

CAS No. :17061-86-8
Formula : C10H10O2
M.W : 162.19
SMILES Code : C#CCOC1=CC=C(OC)C=C1
MDL No. :MFCD14631208
InChI Key :YRHCGFRCOATEFD-UHFFFAOYSA-N
Pubchem ID :257950

Safety of [ 17061-86-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 17061-86-8 ]

* 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 [ 17061-86-8 ]

[ 17061-86-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 50-00-0 ]
  • [ 17061-86-8 ]
  • [ 5471-84-1 ]
  • C55H58Br8O10 [ No CAS ]
YieldReaction ConditionsOperation in experiment
10% With boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; at 20℃; for 0.5h; A solution of 4 (1.22 g, 7.5 mmol), 5 (9.72 g, 30.0 mmol) and paraformaldehyde (2.27 g, 75.0 mmol) in ClCH2CH2Cl (250 mL) was stirred at room temperature, 5.0 mL BF3·OEt2 (5.66 g, 37.5 mmol) was added into the solution and kept stirring for about 30 minutes. Then the solvent was evaporated under reduced pressure and the residue was dissolved in CH2Cl2. The resultant solution was washed with H2O. The organic phase was collected, dried over anhydrous Na2SO4 and concentrated to afford the crude product, which was isolated by flash column chromatography (silica gel, petroleum ether : DCM = 2:1, v/v) to give 6 (1.14 g, 10%) as colorless solid. M. p. 85.6-86.1 C. The proton NMR spectrum of 6 was shown in Fig. S1. 1H NMR (400MHz, CDCl3, 298 K) δ (ppm): 6.91-6.86 (m, 7H), 6.82 (s, 2H), 6.74 (s, 1H), 4.53 (s, 2H), 4.22-4.14 (m, 16H), 3.84-3.79 (t, J = 8.0 Hz, 13H), 3.63-3.56 (m, 16H), 2.35 (s, 1H). The 13C NMR spectrum of 6 was shown in Fig. S2. 13C NMR (100 MHz, CDCl3, 298 K) δ (ppm): 153.81, 152.35, 152.33, 152.29, 151.40, 132.08, 131.73, 131.62, 131.54, 130.89, 118.77, 118.66, 118.63, 118.52, 118.33, 118.14, 116.88, 81.79, 77.37, 71.64, 71.31, 59.13, 58.75, 33.25, 33.06, 32.36, 32.07, 31.46, 25.29, 16.76. MALDI-TOF MS spectrum was shown in Fig. S3: m/z 1518.073 [M + H]+, m/z 1541.063 [M + Na]+.
 

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