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[ CAS No. 880874-38-4 ]

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2D
Chemical Structure| 880874-38-4
Chemical Structure| 880874-38-4
Structure of 880874-38-4 *Storage: {[proInfo.prStorage]}

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Product Details of [ 880874-38-4 ]

CAS No. :880874-38-4MDL No. :MFCD05663142
Formula : C7H7FN2O2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :170.14Pubchem ID :-
Synonyms :

Computed Properties of [ 880874-38-4 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 880874-38-4 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 880874-38-4 ]

  • Upstream synthesis route of [ 880874-38-4 ]
  • Downstream synthetic route of [ 880874-38-4 ]

[ 880874-38-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 82380-18-5 ]
  • [ 880874-38-4 ]
YieldReaction ConditionsOperation in experiment
82% With hydroxylamine In methanol; water at 20℃; for 3 h; Heating / reflux At room temperature, 139 g (2.1 mol) of 50percent hydroxylamine aqueous solution was added dropwise to a methanol solution of 144.0 g (1.05 mol) of 2-fluoro-4-cyanophenol. Temperature of the reaction system was gradually increased and stirred under reflux for 3 hours. After the reaction, this was ice-cooled, and cool water was added to the reaction system to effect precipitation of crystals. The thus obtained crystals were collected by filtration and dried to obtain 139.5 g of (1-A) (yield 82percent).A 8.1 ml (0.1 mol) portion of pyridine was added at room temperature to 300 ml of N,N-dimethylacetamide containing 17 g (0.1 mol) of (1-A), and 6.7 g (33 mmol) of phthaloyl dichloride was added thereto in portions. After the addition, this was stirred at room temperature for 30 minutes and then the reaction temperature was increased to 100°C. This was stirred as such for 3 hours and then spontaneously cooled. Since crystals were precipitated when methanol was added thereto, they were collected by filtration. By drying the thus collected crystals, 36 g (yield 83percent) of (1-B) was obtained.At room temperature, 8.7 ml (50 mmol) of N,N-diisopropylethylamine was added to 300 ml of N,N-dimethylacetamide solution of 8.7 g (20 mmol) of (1-B), and 9.6 g (50 mmol) of octyl chloro formate was added dropwise thereto. A 14 g portion of potassium carbonate was added thereto and stirred as such at room temperature for 3 hours. After adding tetrahydrofuran, separation by filtration was carried out, and methanol was added to the resulting filtrate to effect precipitation of crystals. The crystals were collected by filtration and dried, dispersed in methanol, heated and then filtered to obtain 13.4 g of the illustration compound (1) (yield 90percent).Phase transition temperature of the thus obtained illustration compound (1) was measured by DSC measurement and texture observation under a polarization microscope, thereby obtaining the following results: Cry to SmC at 133 C, SmC to Nb at 159 C and Nb to Iso at 194 C.
Reference: [1] Patent: WO2007/11003, 2007, A1, . Location in patent: Page/Page column 25-26
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