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Chemical Structure| 1065267-10-8 Chemical Structure| 1065267-10-8

Structure of 1065267-10-8

Chemical Structure| 1065267-10-8

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Product Details of [ 1065267-10-8 ]

CAS No. :1065267-10-8
Formula : C8H7F2NO2
M.W : 187.14
SMILES Code : O=C(OCC)C1=NC=C(F)C=C1F
MDL No. :MFCD11616885
InChI Key :VEXJJUULFRUNOQ-UHFFFAOYSA-N
Pubchem ID :46311358

Safety of [ 1065267-10-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 1065267-10-8 ]

* 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 [ 1065267-10-8 ]

[ 1065267-10-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 298709-29-2 ]
  • [ 64-17-5 ]
  • [ 1065267-10-8 ]
YieldReaction ConditionsOperation in experiment
69% 3,5-Difluoropyridine-2-carbonitrile (3.5g, 25mmol) was dissolved in EtOH (5OmL) and 4N HCl/l,4-dioxane (5OmL) was added. This reaction mixture was refiuxed for 24 hours under a nitrogen atmosphere. The reaction mixture was concentrated, dissolved in ethyl acetate (10OmL), and washed with saturated NaHCO3. The organic layer was dried over Na2SO4, and concentrated under reduced pressure. Purification by column chromatography (EtOAc : Hexanes = 1 :9) gave the title compound (3.1g, 69percent) as a semi solid. LCMS: [M+H]+188
  • 2
  • [ 745784-04-7 ]
  • [ 64-17-5 ]
  • [ 1065267-10-8 ]
YieldReaction ConditionsOperation in experiment
100% With thionyl chloride; at 60℃; for 3h;Cooling with ice; Step A: Preparation of <strong>[745784-04-7]3,5-difluoro-pyridine-2-carboxylic acid</strong> ethyl ester To a suspension of <strong>[745784-04-7]3,5-difluoropyridine-2-carboxylic acid</strong> (2.0 g, 12.6 mmol) in ethanol (5 mL), cooled using an ice water bath, was added thionyl chloride (2 mL) in a dropwise manner. The solution was heated at 60 C. for three hours. The reaction was returned to ambient temperature and was concentrated in vacuo to provide the ethyl ester, hydrochloride salt, as a yellow oil (2.5 g, quantitative yield).
88% With sulfuric acid; at 80℃; for 2h; A solution of <strong>[745784-04-7]3,5-difluoropicolinic acid</strong> (3.3 g, 20.75 mmol), H2S04 (5 mL)in EtOH (20 mL) was stirred for 2 hours at 80 C. Then solvent was removed. The residue was diluted with EtOAc and it was washed with brine(x2). The organic layers was concentrated to give ethyl 3,5-difluoropicolinate as a pale yellow solid (3.44 g, 88%). ESI-MS m/z: 188.0 [M+Hjt
88% With sulfuric acid; at 80℃; for 2h; A solution of <strong>[745784-04-7]3,5-difluoropicolinic acid</strong> (3.3 g, 20.75 mmol), H2SO4 (5 mL)in EtOH (20 mL) was stirred for 2 hours at 80 oC. Then solvent was removed. The residue was diluted with EtOAc and it was washed with brine(x2). The organic layers was concentrated to give ethyl 3,5-difluoropicolinate as a pale yellow solid (3.44 g, 88%). ESI-MS m/z: 188.0 [M+H]+.
 

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