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[ CAS No. 913067-91-1 ]

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2D
Chemical Structure| 913067-91-1
Chemical Structure| 913067-91-1
Structure of 913067-91-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 913067-91-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 913067-91-1 ]

SDS

Product Details of [ 913067-91-1 ]

CAS No. :913067-91-1MDL No. :MFCD09834730
Formula :C15H20BN3O2Boiling Point :450.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :285.15Pubchem ID :16086139
Synonyms :

Computed Properties of [ 913067-91-1 ]

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

Safety of [ 913067-91-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305 P351 P338-P310UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 913067-91-1 ]

  • Downstream synthetic route of [ 913067-91-1 ]

[ 913067-91-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 913067-91-1 ]
  • tert-butyl 2-(4-bromo-3-carbamoyl-1H-pyrazol-1-yl)acetate [ No CAS ]
  • tert-butyl 2-(3-carbamoyl-4-(2-(methylamino)quinazolin-6-yl)-1H-pyrazol-1-yl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate; In water; N,N-dimethyl-formamide; at 90.0℃; for 5.0h; To a solution of [913067-91-1]N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (1 equiv) in DMF/H2O (9:1, 10 vol) was added compound S1 (1 equiv), Cs2CO3(3 equiv), and tetrakis(triphenylphosphine)palladium (0.1 equiv). The reaction mixture was stirred at 90 C. for 5 h and then concentrated under reduced pressure. The residue was purified by column chromatography on silica gel (MeOH/DCM) to give compound S3.
  • 2
  • [ 913067-91-1 ]
  • 1-(2-((2S,4R)-2-((6-bromopyridin-2-yl)carbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-4-(2-(methylamino)quinazolin-6-yl)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 3
  • [ 913067-91-1 ]
  • 2-(3-carbamoyl-4-(2-(methylamino)quinazolin-6-yl)-1H-pyrazol-1-yl)acetic acid [ No CAS ]
  • 4
  • [ 913067-91-1 ]
  • 2-amino-3-iodo-N-(4-methoxy-3-(trifluoromethyl)phenyl)-4-methylbenzamide [ No CAS ]
  • 2-amino-N-(4-methoxy-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(methylamino)quinazolin-6-yl)benzamide [ No CAS ]
  • 5
  • [ 913067-91-1 ]
  • 4-(4-amino-3-bromobenzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 4-(4-amino-3-(2-(methylamino)quinazolin-6-yl)benzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 6
  • [ 913067-91-1 ]
  • 4-(2-amino-3-iodo-4-methylbenzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 4-(2-amino-4-methyl-3-(2-(methylamino)quinazolin-6-yl)-benzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 7
  • [ 913067-91-1 ]
  • 4-(3-bromo-4-chlorobenzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 4-(4-chloro-3-(2-(methylamino)quinazolin-6-yl)benzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 8
  • [ 913067-91-1 ]
  • 4-(3-bromo-4-methylbenzoyl)-1-methyl-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 1-methyl-4-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)-benzoyl)-2,5-diphenyl-1H-pyrazol-3(2H)-one [ No CAS ]
  • 9
  • [ 913067-91-1 ]
  • [ 884600-93-5 ]
  • 4-methyl-3-(2-(methylamino)-6-quinazolinyl)-N-(3-(trifluoromethyl)phenyl)benzamide [ No CAS ]
  • 10
  • [ 913067-91-1 ]
  • [ 943606-41-5 ]
  • N-methyl-6-(6-methyl-1-(3-(trifluoromethyl)phenoxy)isoquinolin-5-yl)quinazolin-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium carbonate;bis-triphenylphosphine-palladium(II) chloride; In water; N,N-dimethyl-formamide; at 150.0℃; for 0.166667h;Microwave irradiation; Example 395; Preparation of N-methyl-6-(6-methyl-l-(3-(trifluoromethyl)phenoxy)isoquinolin-5- yl)quinazoIin-2-amine5-Iodo-6-methyl-l-(3-(trifluoromethyl)phenoxy)isoquinoline (0.170 g, 0.396 mmol), N- methyl-6-(4,4,5,5-tetramethyl-l ,3,2-dioxaborolan-2-yl)quinazolin-2-amine (0.124 g, 0.436 mmol), dichlorobis(triphenyl-phosphine)palladium (II) (0.0139 g, 0.0198 mmol), and sodium carbonate (0.0840 g, 0.792 mmol) were all placed in a clear microwave vial along with 5 ml of 9:1 DMF: water. The vial was capped and heated in a Personal Chemistry SmithSynthesizer to 15O0C for 10 minutes. The reaction was diluted with water and extracted with EtAOc. The organic layer was washed (2x) with an aqueous saturated solution of sodium bicarbonate, then with water and then brine. The organic layer was then dried with sodium sulfate and purified by column chromatography on silica gel using a gradient of 30-70% EtOAc in hexanes. The clean fractions were reduced in vacuo and the residue triturated with ether to give N-methyl-6-(6-methyl-l-(3- (trifluoromethyl)phenoxy)isoquinolin-5-yl)quinazolin-2-amine as a light yellow solid. MS(M+H)+ 461.
Historical Records

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[ 913067-91-1 ]

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Related Parent Nucleus of
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