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[ CAS No. 261762-51-0 ]

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Chemical Structure| 261762-51-0
Chemical Structure| 261762-51-0
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Product Details of [ 261762-51-0 ]

CAS No. :261762-51-0 MDL No. :MFCD01631330
Formula : C6H3ClF2O Boiling Point : 168.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :164.54 g/mol Pubchem ID :-
Synonyms :

Safety of [ 261762-51-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 261762-51-0 ]

  • Downstream synthetic route of [ 261762-51-0 ]

[ 261762-51-0 ] Synthesis Path-Downstream   1~13

  • 1
  • [ 4341-76-8 ]
  • [ 261762-51-0 ]
  • [ 1191997-71-3 ]
YieldReaction ConditionsOperation in experiment
84% With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran Reflux; 72 (S)-2-[4-(3-Chloro-2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-propionamide Example 72 (S)-2-[4-(3-Chloro-2,6-difluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-propionamide To a stirred mixture of 3-chloro-2,6-difluoro-phenol (4.60 g, 28.0 mmol) and ethyl-2-butynoate (6.30 g, 56.0 mmol) in tetrahydrofuran (30 mL) was added 1,8-diazabicyclo[5.4.0]undec-7-ene slowly (4.30 g, 28.0 mmol). After addition was complete the mixture was stirred at reflux for 4 h. Upon completion of the reaction the tetrahydrofuran was removed in vacuo and the residue was diluted in diethyl ether and washed with 1N aqueous hydrochloric acid, 10% aqueous sodium hydroxide solution, a saturated sodium chloride solution and dried over magnesium sulfate. The crude product obtained was purified by ISCO flash chromatography (Teledyne Isco RediSep Flash Column 120 g, 0% to 20% ethyl acetate/hexanes) to afford, (E)-3-(3-chloro-2,6-difluoro-phenoxy)-but-2-enoic acid ethyl ester (6.44 g, 84%) as a colorless oil: 1H NMR (300 MHz, CDCl3) δ ppm 1.25 (t, J=7.0 Hz, 3H), 2.54 (s, 3H), 4.13 (q, J=7.0 Hz, 2H), 4.90 (s, 1H), 6.98 (td, J=9.2, 2.1 Hz, 1H), 7.15-7.33 (m, 1H).
  • 5
  • [ 261762-51-0 ]
  • 2-(3-chloro-2,6-difluoro-4-(4-hydroxy-3-isopropylbenzyl)phenoxy)acetic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 9 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C 7.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C 8.1: anhydrous zinc chloride / tetrahydrofuran; 1,2-dichloro-ethane / 85 °C 9.1: sodium hydroxide / methanol; water monomer / 1 h / 20 °C
Multi-step reaction with 9 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C 7.1: thionyl chloride / dichloromethane / 2 h / 20 °C 8.1: anhydrous zinc chloride / tetrahydrofuran; 1,2-dichloro-ethane / 85 °C 9.1: sodium hydroxide; water monomer / methanol / 1 h / 20 °C
  • 6
  • [ 261762-51-0 ]
  • 3-chloro-2,6-difluoro-4-iodophenol [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% With N-iodo-succinimide; toluene-4-sulfonic acid In dichloromethane at 20℃; for 16h; Synthesis of 3-chloro-2,6-difluoro-4-iodophenol (A8’) To a solution of 3-chloro-2,6-difluorophenol (4.0 g, 24 mmol, 1.0 eq) in DCM (20 mL) at rt were added N-iodosuccinimide (5.5 g, 24 mmol, 1.0 eq) and p-Toluenesulfonic acid (694 mg, 3.65 mmol, 0.15 eq). The mixture was stirred for 16 hrs at rt; then water (20 mL) was added and the mixture was extracted with DCM (30 mL*3). The combined organic phase was washed with brine (30 mL), dried over Na2SO4, concentrated in vacuo and purified by silica gel column chromatography (pet. ether/EtOAc=1/100 to 1/10) to afford Intermediate A8’ (6.2 g, 88% yield) as a yellow solid.1H NMR: (400 MHz, DMSO-d6) δ 11.04 (s, 1H), 7.69 (dd, J = 10.1, 2.2 Hz, 1H).
88% With N-iodo-succinimide; toluene-4-sulfonic acid In dichloromethane at 20℃; for 16h; Synthesis of 3-chloro-2,6-difluoro-4-iodophenol (A8’) To a solution of 3-chloro-2,6-difluorophenol (4.0 g, 24 mmol, 1.0 eq) in DCM (20 mL) at rt were added N-iodosuccinimide (5.5 g, 24 mmol, 1.0 eq) and p-Toluenesulfonic acid (694 mg, 3.65 mmol, 0.15 eq). The mixture was stirred for 16 hrs at rt; then water (20 mL) was added and the mixture was extracted with DCM (30 mL*3). The combined organic phase was washed with brine (30 mL), dried over Na2SO4, concentrated in vacuo and purified by silica gel column chromatography (pet. ether/EtOAc=1/100 to 1/10) to afford Intermediate A8’ (6.2 g, 88% yield) as a yellow solid.1H NMR: (400 MHz, DMSO-d6) δ 11.04 (s, 1H), 7.69 (dd, J = 10.1, 2.2 Hz, 1H).
88% With N-iodo-succinimide; toluene-4-sulfonic acid In dichloromethane at 20℃; for 16h; Synthesis of 3-chloro-2,6-difluoro-4-iodophenol (A8’) To a solution of 3-chloro-2,6-difluorophenol (4.0 g, 24 mmol, 1.0 eq) in DCM (20 mL) at rt were added N-iodosuccinimide (5.5 g, 24 mmol, 1.0 eq) and p-Toluenesulfonic acid (694 mg, 3.65 mmol, 0.15 eq). The mixture was stirred for 16 hrs at rt; then water (20 mL) was added and the mixture was extracted with DCM (30 mL*3). The combined organic phase was washed with brine (30 mL), dried over Na2SO4, concentrated in vacuo and purified by silica gel column chromatography (pet. ether/EtOAc=1/100 to 1/10) to afford Intermediate A8’ (6.2 g, 88% yield) as a yellow solid.1H NMR: (400 MHz, DMSO-d6) δ 11.04 (s, 1H), 7.69 (dd, J = 10.1, 2.2 Hz, 1H).
  • 7
  • [ 261762-51-0 ]
  • (3-chloro-2,6-difluoro-4-iodophenoxy)triisopropylsilane [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2: triethylamine / dichloromethane / 1 h / 20 °C
  • 8
  • [ 261762-51-0 ]
  • 2-chloro-3,5-difluoro-4-((triisopropylsilyl)oxy)benzaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h
  • 9
  • [ 261762-51-0 ]
  • 2-chloro-3,5-difluoro-4-hydroxybenzaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane
  • 10
  • [ 261762-51-0 ]
  • ethyl 2-(3-chloro-2,6-difluoro-4-formylphenoxy)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C
  • 11
  • [ 261762-51-0 ]
  • ethyl 2-(3-chloro-2,6-difluoro-4-(hydroxymethyl)phenoxy)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C
  • 12
  • [ 261762-51-0 ]
  • ethyl 2-(3-chloro-4-(chloromethyl)-2,6-difluorophenoxy)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C 7.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C
Multi-step reaction with 7 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C 7.1: thionyl chloride / dichloromethane / 2 h / 20 °C
  • 13
  • [ 261762-51-0 ]
  • ethyl 2-(3-chloro-2,6-difluoro-4-(4-hydroxy-3-isopropylbenzyl)phenoxy)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 8 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C 7.1: thionyl chloride / dichloromethane / 2 h / 0 - 20 °C 8.1: anhydrous zinc chloride / tetrahydrofuran; 1,2-dichloro-ethane / 85 °C
Multi-step reaction with 8 steps 1.1: N-iodo-succinimide; toluene-4-sulfonic acid / dichloromethane / 16 h / 20 °C 2.1: triethylamine / dichloromethane / 1 h / 20 °C 3.1: isopropylmagnesium chloride lithium chloride complex / tetrahydrofuran / 2 h / 20 °C 3.2: 1 h 4.1: N,N,N-tributylbutan-1-aminium fluoride / tetrahydrofuran; dichloromethane 5.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 6.1: sodium tetrahydridoborate / tetrahydrofuran / 1 h / 0 - 20 °C 7.1: thionyl chloride / dichloromethane / 2 h / 20 °C 8.1: anhydrous zinc chloride / tetrahydrofuran; 1,2-dichloro-ethane / 85 °C
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