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[ CAS No. 1031226-45-5 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1031226-45-5
Chemical Structure| 1031226-45-5
Structure of 1031226-45-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1031226-45-5 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1031226-45-5 ]

SDS

Product Details of [ 1031226-45-5 ]

CAS No. :1031226-45-5MDL No. :MFCD04038753
Formula :C6H4BClF2O2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :192.36Pubchem ID :-
Synonyms :

Computed Properties of [ 1031226-45-5 ]

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

Safety of [ 1031226-45-5 ]

Signal Word:WarningClass
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501UN#:
Hazard Statements:H302-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1031226-45-5 ]

  • Downstream synthetic route of [ 1031226-45-5 ]

[ 1031226-45-5 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 10075-50-0 ]
  • [ 1031226-45-5 ]
  • C14H8ClF2N [ No CAS ]
  • 2
  • [ 1031226-45-5 ]
  • [ 460-00-4 ]
  • 3-chloro-2,6,4'-trifluorobiphenyl [ No CAS ]
  • 3
  • [ 1031226-45-5 ]
  • [ 347-46-6 ]
  • C16H16ClF2N [ No CAS ]
  • 4
  • [ 1031226-45-5 ]
  • methyl 2-(1-(5-bromopyridin-2-yl)-2-phenylethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole-5-carboxylate [ No CAS ]
  • methyl 2-(1-(5-(3-chloro-2,6-difluorophenyl)pyridin-2-yl)-2-phenylethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate; 1,1'-bis(di-tertbutylphosphino)ferrocene; palladium diacetate; In tetrahydrofuran; water; at 100.0℃; for 1.0h;Microwave irradiation; Sealed tube; Inert atmosphere; To a mixture of methyl 2-( 1 -(5 -bromopyridin-2-yl)-2-phenylethyl)- 1 -((2-(trimethylsilyl)ethoxy)methyl)- 1 H- benzo[d]imidazole-5 -carboxylate (1-E) (86 mg, 0.152 mmol), (3-chloro-2,6- difluorophenyl)boronic acid (44 mg, 0.228 mmol), palladium(II) acetate/ l,l'-bis(di-t- butylphosphino)ferrocene/potassium phosphate admixture (28 mg, 0.03 mmol) in THF (2 ml) was added potassium phosphate tribasic aq. solution (0.3 ml, 0.6 mmol, 2M) in a microwave tube. The reaction tube was sealed, degassed and refilled with N2. The mixture was heated at 100C by microwave for 1 hr. The reaction mixture was diluted with water, extracted with EtOAc, the organic was washed with brine, and dried over Na2S04. The solvent was removed in vacuo. The residue was purified by column chromatography on silica gel, eluting with EtOAc/hexane to give the product (1-F). 1H NMR (500 MHz, CDC13) delta: -0.12 (9H, d), 0.77-0.67 (2H, m), 0.91-0.87 (1 H, m), 3.22-3.17 (1H, m), 3.31-3.23 (2H, m), 3.67-3.63 (1 H, m), 3.96 (3H, s), 4.99 (1H, b), 5.37 (1H, b), 5.56 (1H, b), 7.00 (1H, dd), 7.22-7.17 (6H, m), 7.44-7.39 (2H, m), 7.75 (1H, s), 8.03 (1H, t,) 8.15 (1 H, s), 8.61 (1H, s).
  • 5
  • [ 1031226-45-5 ]
  • tert-butyl 4-(2-(5-bromopyridin-2-yl)-3-phenylpropanamido)benzoate [ No CAS ]
  • tert-butyl 4-(2-(5-(3-chloro-2,6-difluorophenyl)pyridin-2-yl)-3-phenylpropanamido)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate; 1,1'-bis(di-tertbutylphosphino)ferrocene; palladium diacetate; In tetrahydrofuran; water; at 100.0℃; for 1.0h;Microwave irradiation; Sealed tube; Inert atmosphere; EXAMPLES 3 and 4 (R)-2-(l-((4-carboxyphenyl)amino)-l-oxo-3-phenylpropan-2-yl)-5-(3-chloro-2,6- difluorophenyl)pyridine-l -oxide (Example 3) & (S)-2-(l-((4-carboxyphenyl)amino)-l-oxo-3- phenylpropan-2-yl)-5-(3-chloro-2,6-difluorophenyl)pyridine- 1 -oxide (Example 4) Step 1. tert-Butyl 4-(2-(5-(3-chloro-2,6-difluorophenyl)pyridin-2-yl)-3-phenylpropanamido) benzoate (2- A) To a mixture of tert-butyl 4-(2-(5-bromopyridin-2-yl)-3-phenylpropanamido) benzoate (1-B)(0.65 g, 1.35 mmol), <strong>[1031226-45-5](3-chloro-2,6-difluorophenyl)boronic acid</strong> (0.39 g, 2.0 mmol), palladium(II) acetate/1, -bis(di-t-butylphosphino)ferrocene/potassium phosphate admixture (0.246 g, 0.27 mmol) in THF (12 mL) was added potassium phosphate tribasic aqueous solution (2.7 mL, 5.4 mmol, 2M) in a microwave tube. The reaction tube was sealed, degassed and refilled with N2. The mixture was heated at 100C by microwave for 1 hr. The reaction mixture was diluted with water, extracted with EtOAc, and the organic was washed with brine, dried over Na2S04. The solvent was removed in vacuo. The residue was purified by column chromatography on silica gel, eluting with EtOAc/hexane to give product 2-A. 1H NMR (500 MHz, CDCls) delta: 1.59 (9H, s), 3.35 (1 H, dd), 3.61 (1 H, dd), 4.07-4.05 (1H, m), 7.08-7.04 (3H, m), 7.22-7.16 (4 H, m), 7.46 (1 H, td), 7.64 (2 H, d), 7.71 (1 H, d), 7.97 (2 H, d), 8.79 (1 H, s), 10.05 (1 H, s).
  • 6
  • [ 1031226-45-5 ]
  • (9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-3,9-dimethyl-3,4,7,15-tetraazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one trifluoroacetate [ No CAS ]
  • 7
  • [ 1031226-45-5 ]
  • 6-(3-chloro-2,6-difluorophenyl)pyrimidin-4-ol [ No CAS ]
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