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Chemical Structure| 43216-12-2 Chemical Structure| 43216-12-2

Structure of 43216-12-2

Chemical Structure| 43216-12-2

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Product Details of [ 43216-12-2 ]

CAS No. :43216-12-2
Formula : C6H11IO
M.W : 226.06
SMILES Code : ICC1CCCCO1
MDL No. :MFCD06410733
InChI Key :CEPXWUHXEXKVLW-UHFFFAOYSA-N
Pubchem ID :2763047

Safety of [ 43216-12-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331-H341
Precautionary Statements:P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330+P313-P361-P403+P233-P405-P501
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 43216-12-2 ]

* 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 [ 43216-12-2 ]

[ 43216-12-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 43216-12-2 ]
  • [ 15893-42-2 ]
  • [ 92037-79-1 ]
  • 4-(4-methoxyphenyl)-1-(tetrahydro-2H-pyran-2-yl)butan-2-one [ No CAS ]
  • hex-5-en-1-yl 3-(4-methoxyphenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
57%; 28%; 11% With (2-(1-methyl-1H-imidazol-2-yl)pyridine)NiCl2; (4,4',4''-trimethyl-2,2':6',2''-terpyridine)NiI; zinc powder; In 1,2-dimethoxyethane; N,N-dimethyl acetamide; at 20℃; for 3h;Inert atmosphere; General procedure: To a solution of iodide 1 (37.3 mg, 0.165 mmol, 1.0 equiv) and thiopyridine ester 2 (45.0 mg, 0.165 mmol, 1.0 equiv) in DMA (0.17 mL) and DME (0.17 mL) were added py- (Me)imid·Ni(II)Cl2 (0.50 mg, 1.65 µmol, 1 mol%) and (Me)3tpy·Ni(I)I (0.80 mg, 1.65 µmol, 1 mol%) in the absence of Cp2ZrCl2. After stirring for 1 minute, Zn powder (32.4 mg, 0.495 mmol, 3.0 equiv) was added at room temperature. After being stirred at the same temperature for 6 hours, the reaction mixture was diluted with Et2O and sat. NaHCO3 aq. The organic layer was separated and the aqueous layer was extracted with Et2O five times. The combined organic layer was washed with water three times and brine one time, dried over Na2SO4, filtered, and concentrated under reduced pressure. The obtained crude material was purified by flash column chromatography on silica gel to give ketone 3 (31.6 mg, 0.121 mmol, 73%), ester S3 (6.00 mg, 0.023 mmol, 14%), and dimer 4 (0.70 mg, 0.007 mmol, 4%).
57%; 28%; 11% With (2-(1-methyl-1H-imidazol-2-yl)pyridine)NiCl2; (4,4',4''-trimethyl-2,2':6',2''-terpyridine)NiI; zinc powder; In 1,2-dimethoxyethane; N,N-dimethyl acetamide; at 20℃; for 3h;Inert atmosphere; General procedure: To a solution of iodide 1 (37.3 mg, 0.165 mmol, 1.0 equiv) and thiopyridine ester 2 (45.0 mg, 0.165 mmol, 1.0 equiv) in DMA (0.17 mL) and DME (0.17 mL) were added py- (Me)imid·Ni(II)Cl2 (0.50 mg, 1.65 µmol, 1 mol%) and (Me)3tpy·Ni(I)I (0.80 mg, 1.65 µmol, 1 mol%) in the absence of Cp2ZrCl2. After stirring for 1 minute, Zn powder (32.4 mg, 0.495 mmol, 3.0 equiv) was added at room temperature. After being stirred at the same temperature for 6 hours, the reaction mixture was diluted with Et2O and sat. NaHCO3 aq. The organic layer was separated and the aqueous layer was extracted with Et2O five times. The combined organic layer was washed with water three times and brine one time, dried over Na2SO4, filtered, and concentrated under reduced pressure. The obtained crude material was purified by flash column chromatography on silica gel to give ketone 3 (31.6 mg, 0.121 mmol, 73%), ester S3 (6.00 mg, 0.023 mmol, 14%), and dimer 4 (0.70 mg, 0.007 mmol, 4%).
  • 2
  • [ 43216-12-2 ]
  • [ 15893-42-2 ]
  • [ 92037-79-1 ]
  • 4-(4-methoxyphenyl)-1-(tetrahydro-2H-pyran-2-yl)butan-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
40%; 51% With zirconocene dichloride; (2-(1-methyl-1H-imidazol-2-yl)pyridine)NiCl2; (4,4',4''-trimethyl-2,2':6',2''-terpyridine)NiI; zinc powder; In 1,2-dimethoxyethane; N,N-dimethyl acetamide; at 20℃; for 3h;Inert atmosphere; General procedure: To a solution of iodide 1 (37.3 mg, 0.165 mmol, 1.0 equiv) and thiopyridine ester 2 (45.0 mg, 0.165 mmol, 1.0 equiv) in DMA (0.17 mL) and DME (0.17 mL) were added py- (Me)imid·Ni(II)Cl2 (0.50 mg, 1.65 µmol, 1 mol%) and (Me)3tpy·Ni(I)I (0.80 mg, 1.65 µmol, 1 mol%) in the absence of Cp2ZrCl2. After stirring for 1 minute, Zn powder (32.4 mg, 0.495 mmol, 3.0 equiv) was added at room temperature. After being stirred at the same temperature for 6 hours, the reaction mixture was diluted with Et2O and sat. NaHCO3 aq. The organic layer was separated and the aqueous layer was extracted with Et2O five times. The combined organic layer was washed with water three times and brine one time, dried over Na2SO4, filtered, and concentrated under reduced pressure. The obtained crude material was purified by flash column chromatography on silica gel to give ketone 3 (31.6 mg, 0.121 mmol, 73%), ester S3 (6.00 mg, 0.023 mmol, 14%), and dimer 4 (0.70 mg, 0.007 mmol, 4%).
40%; 51% With zirconocene dichloride; (2-(1-methyl-1H-imidazol-2-yl)pyridine)NiCl2; (4,4',4''-trimethyl-2,2':6',2''-terpyridine)NiI; zinc powder; In 1,2-dimethoxyethane; N,N-dimethyl acetamide; at 20℃; for 3h;Inert atmosphere; General procedure: To a solution of iodide 1 (37.3 mg, 0.165 mmol, 1.0 equiv) and thiopyridine ester 2 (45.0 mg, 0.165 mmol, 1.0 equiv) in DMA (0.17 mL) and DME (0.17 mL) were added py- (Me)imid·Ni(II)Cl2 (0.50 mg, 1.65 µmol, 1 mol%) and (Me)3tpy·Ni(I)I (0.80 mg, 1.65 µmol, 1 mol%) in the absence of Cp2ZrCl2. After stirring for 1 minute, Zn powder (32.4 mg, 0.495 mmol, 3.0 equiv) was added at room temperature. After being stirred at the same temperature for 6 hours, the reaction mixture was diluted with Et2O and sat. NaHCO3 aq. The organic layer was separated and the aqueous layer was extracted with Et2O five times. The combined organic layer was washed with water three times and brine one time, dried over Na2SO4, filtered, and concentrated under reduced pressure. The obtained crude material was purified by flash column chromatography on silica gel to give ketone 3 (31.6 mg, 0.121 mmol, 73%), ester S3 (6.00 mg, 0.023 mmol, 14%), and dimer 4 (0.70 mg, 0.007 mmol, 4%).
 

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