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Chemical Structure| 1895-39-2 Chemical Structure| 1895-39-2
Chemical Structure| 1895-39-2

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Product Details of Sodium chlorodifluoroacetate

CAS No. :1895-39-2
Formula : C2ClF2NaO2
M.W : 152.46
SMILES Code : O=C([O-])C(F)(Cl)F.[Na+]
MDL No. :MFCD00064771
InChI Key :MRTAVLDNYYEJHK-UHFFFAOYSA-M
Pubchem ID :2734985

Safety of Sodium chlorodifluoroacetate

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

Application In Synthesis of Sodium chlorodifluoroacetate

* 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.

  • Upstream synthesis route of [ 1895-39-2 ]
  • Downstream synthetic route of [ 1895-39-2 ]

[ 1895-39-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1054483-78-1 ]
  • [ 1895-39-2 ]
  • [ 1333222-12-0 ]
YieldReaction ConditionsOperation in experiment
53% at 80℃; Sealed tube In a sealed tube was added 2-hydroxy-5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)pyridine (300 mg, 1.357 mmol), sodium chlorodifluoroacetate (320 mg, 2.036 mmol) in acetonitrile (5 mL). This suspension was heated to 80°C and stirred overnight. The reaction mixture was cooled down to rt, diluted with EtOAc, washed with an aqueous solution of NaHC03 and brine. The organic layer dried over MgS04, filtered and evaporated. Purification by flash chromatography on silica gel (CH2CI2/MeOH, 95/5) gave the title compound (197 mg, 53percent yield). MS: 272.8 [M+H]+, Rt (6) = 3.12 min.
53% at 80℃; Sealed tube 2-Difluoromethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine
In a sealed tube was added 2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (300 mg, 1.357 mmol), sodium chlorodifluoroacetate (320 mg, 2.036 mmol) in acetonitrile (5 mL).
This suspension was heated to 80° C. and stirred overnight.
The reaction mixture was cooled down to rt, diluted with EtOAc, washed with an aqueous solution of NaHCO3 and brine.
The organic layer dried over MgSO4, filtered and evaporated.
Purification by flash chromatography on silica gel (CH2Cl2/MeOH, 95/5) gave the title compound (197 mg, 53percent yield). MS: 272.8 [M+H]+, Rt(6)=3.12 min.
References: [1] Patent: WO2013/57711, 2013, A1, . Location in patent: Page/Page column 49.
[2] Patent: US2015/342951, 2015, A1, . Location in patent: Paragraph 0859-0860.
  • 2
  • [ 1895-39-2 ]
  • [ 269409-70-3 ]
  • [ 1333222-12-0 ]
YieldReaction ConditionsOperation in experiment
53% at 80℃; Sealed tube In a sealed tube was added 2-hydroxy-5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)pyridine (300 mg, 1.357 mmol), sodium chlorodifluoroacetate (320 mg, 2.036 mmol) in acetonitrile (5 mL). This suspension was heated to 80°C and stirred overnight. The reaction mixture was cooled down to rt, diluted with EtOAc, washed with an aqueous solution of NaHC03 and brine. The organic layer dried over MgS04, filtered and evaporated. Purification by flash chromatography on silica gel (CH2CI2/MeOH, 95/5) gave the title compound (197 mg, 53percent yield). MS: 272.8 [M+H]+, Rt (6) = 3.12 min.
References: [1] Patent: WO2013/88404, 2013, A1, . Location in patent: Page/Page column 96.
 

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