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[ CAS No. 1027514-14-2 ] {[proInfo.proName]}

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Chemical Structure| 1027514-14-2
Chemical Structure| 1027514-14-2
Structure of 1027514-14-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1027514-14-2 ]

CAS No. :1027514-14-2 MDL No. :MFCD11007715
Formula : C12H14F2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 228.24 Pubchem ID :-
Synonyms :

Safety of [ 1027514-14-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1027514-14-2 ]

* 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 [ 1027514-14-2 ]

[ 1027514-14-2 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 35779-04-5 ]
  • [ 1027514-14-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: copper / dimethyl sulfoxide / 12 h / 60 °C / Inert atmosphere 2: potassium carbonate / methanol; water / 2 h / 20 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: copper / dimethyl sulfoxide / 12 h / 60 °C / Inert atmosphere 2: potassium carbonate; water / methanol / 12 h / 20 °C
Multi-step reaction with 2 steps 1.1: copper / dimethyl sulfoxide / 12 h / 60 °C 2.1: potassium carbonate / water; methanol / 2 h / 20 °C 2.2: pH 1
  • 2
  • [ 1027514-13-1 ]
  • [ 1027514-14-2 ]
YieldReaction ConditionsOperation in experiment
66% With potassium carbonate In methanol; water at 20℃; for 2h; Inert atmosphere;
57% With water; potassium carbonate In methanol at 20℃; for 12h; General Procedure B (Hydrolysis of ethyl α,α-difluoroarylacetates) General procedure: To a solution of an appropriate ethyl α,α-difluoroaryl acetate (1.0 eq.) in MeOH (0.33 M) was added 1 M aq. K2CO3 (3.0 eq.). The reaction mixture was stirred at room temperature for 12 h before diluting with Et2O. The reaction mixture was extracted with aq. NaHCO3 (sat., 3x). The combined aqueous layers were acidified to pH 1 and extracted with Et2O (3x), then the combined organic phases were washed with brine, dried over MgSO4 and concentrated in vacuo. Products were purified by washing with n-pentane.
  • 3
  • [ 1027514-14-2 ]
  • [ 160001-85-4 ]
YieldReaction ConditionsOperation in experiment
77% With silver nitrate; Selectfluor In water; acetone at 55℃; for 1h; Inert atmosphere; Schlenk technique;
Multi-step reaction with 3 steps 1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 3 h / 0 - 20 °C 2: Bromotrichloromethane; dmap; 2-mercaptopyridine-1-oxide sodium salt / 12 h / Irradiation 3: silver tetrafluoroborate / dichloromethane / 1 h / 20 °C
  • 4
  • [ 1027514-14-2 ]
  • [ 1609958-18-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 3 h / 0 - 20 °C 2: Bromotrichloromethane; dmap; 2-mercaptopyridine-1-oxide sodium salt / 12 h / Irradiation 3: 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan/[18F]fluoride; silver trifluoromethanesulfonate / dichloromethane / 0.33 h / 20 °C / Inert atmosphere; Sealed tube
  • 5
  • [ 1027514-14-2 ]
  • [ 114467-76-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 3 h / 0 - 20 °C 2: Bromotrichloromethane; dmap; 2-mercaptopyridine-1-oxide sodium salt / 12 h / Irradiation
  • 6
  • [ 1027514-14-2 ]
  • C12H13ClF2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 3h; General Procedure C (Bromodecarboxylation of ethyl α,α-difluoroarylacetic acids) General procedure: To a solution of an appropriate carboxylic acid (1.0 eq.) in DCM (0.50 M) was added DMF (0.10 eq.) and (COCl)2 (1.5 eq.) at 0°C. The reaction mixture was stirred at room temperature for 3 h, then concentrated in vacuo. To the crude acyl chloride was added degassed BrCCl3 (0.33 M), DMAP (25 mol%) and sodium-N-hydroxy-2-thiopyridone (1.0 eq.). The reaction mixture was stirred under 300 W sun lamp for 12 h and concentrated in vacuo. The crude product was purified by silica gel column chromatography.
  • 7
  • [ 1027514-14-2 ]
  • 1-[(triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one [ No CAS ]
  • (3-(4-(tert-butyl)phenyl)-3,3-difluoroprop-1-yn-1-yl)triisopropylsilane [ No CAS ]
YieldReaction ConditionsOperation in experiment
63% With dipotassium peroxodisulfate In water; acetonitrile at 55℃; for 12h; Inert atmosphere; Schlenk technique;
  • 8
  • [ 1008-89-5 ]
  • [ 1027514-14-2 ]
  • 2-(3-((4-(tert-butyl)phenyl)difluoromethyl)phenyl)pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
37% With ammonium peroxydisulfate; palladium diacetate; acetic acid In water; dimethyl sulfoxide at 55℃; for 24h; Inert atmosphere;
  • 9
  • [ 1027514-14-2 ]
  • [ 91-64-5 ]
  • 3-((4-(tert-butyl)phenyl)difluoromethyl)-2H-chromen-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% With Iron(III) nitrate nonahydrate; ammonium peroxydisulfate; 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 80℃; for 2h; Schlenk technique; Inert atmosphere;
  • 10
  • C13H16F2O2 [ No CAS ]
  • [ 1027514-14-2 ]
YieldReaction ConditionsOperation in experiment
Stage #1: C13H16F2O2 With potassium carbonate In methanol; water at 20℃; for 2h; Stage #2: With hydrogenchloride In methanol; water
YieldReaction ConditionsOperation in experiment
95% With water; lithium hydroxide In tetrahydrofuran at 20℃; for 2h; General procedure: Dissolve the first intermediate compound (1.0eq) in a mixed solvent of THF and water (10:1), add LiOH (2.0eq), react for 2 hours at room temperature, and spin dry the solvent. Add HCl to pH=3, filter to obtain the product. The second intermediate compound, the yield was 83%.
  • 12
  • [ 1027514-14-2 ]
  • [ 882-33-7 ]
  • [ 114467-80-0 ]
YieldReaction ConditionsOperation in experiment
55% With ammonium peroxydisulfate In water; dimethyl sulfoxide at 60℃; for 12h; Inert atmosphere;
  • 13
  • [ 100954-03-8 ]
  • [ 1027514-14-2 ]
  • C26H22F2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
69% With ammonium peroxydisulfate; copper(l) iodide; sodium hydrogencarbonate In dimethyl sulfoxide at 80℃; for 3h; Inert atmosphere; Schlenk technique;
  • 14
  • [ 667-27-6 ]
  • [ 35779-04-5 ]
  • [ 1027514-14-2 ]
YieldReaction ConditionsOperation in experiment
Stage #1: Ethyl bromodifluoroacetate; 1-tert-butyl-4-iodobenzene With copper In dimethyl sulfoxide at 60℃; for 12h; Inert atmosphere; Stage #2: With methanol; water; potassium carbonate at 20℃; for 2h; Inert atmosphere;
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