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[ CAS No. 874219-27-9 ]

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2D
Chemical Structure| 874219-27-9
Chemical Structure| 874219-27-9
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Product Details of [ 874219-27-9 ]

CAS No. :874219-27-9MDL No. :MFCD08235046
Formula : C9H11BFNO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :211.00Pubchem ID :-
Synonyms :

Computed Properties of [ 874219-27-9 ]

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

Safety of [ 874219-27-9 ]

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

Application In Synthesis of [ 874219-27-9 ]

  • Downstream synthetic route of [ 874219-27-9 ]

[ 874219-27-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1560796-10-2 ]
  • [ 874219-27-9 ]
  • [ 76-05-1 ]
  • 5-(2-(3,5-dimethoxyphenylethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-fluoro-N,N-dimethylbenzamide trifluoroacetic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 6-bromo-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine; 3-(dimethylcarbamoyl)-4-fluorophenylboronic acid With bis(di-tert-​butyl(4-​dimethylaminophenyl)​phosphine)​dichloropalladium(II); sodium carbonate In 1,4-dioxane; water at 110℃; Inert atmosphere; Stage #2: trifluoroacetic acid In 1,4-dioxane; water 54 Step 2. 2-Chloro-4-(2-(3,5-dimethoxyphenethyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl)-N-isopropylbenzamide General procedure: A mixture of 6-bromo-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine (10.0 mg, 0.0276 mmol), 2-chloro-N-isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (13.0 mg, 0.041 mmol, from Combi-Blocks), sodium carbonate (5.8 mg, 0.055 mmol) and dichloro(bis{di-tert-butyl[4-(dimethylamino)phenyl]phosphoranyl})palladium (0.59 mg, 0.00083 mmol) in 1,4-dioxane (0.5 mL)/water (0.1 mL) was evacuated and refilled with N2 three times. The reaction was then stirred at 110 °C. overnight. The mixture was purified by RP-HPLC (pH=2, TFA as the media) to afford the desired product as TFA salt. LCMS calculated for C26H28ClN4O3 (M+H)+: m/z=479.2. Found 479.1. The compound was prepared by using procedure analogous to those described for the synthesis of Example 53, Step 2 starting from 6-bromo-2-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazine and 3-(dimethylcarbamoyl)-4-fluorophenylboronic acid (from Combi-Blocks). LCMS calculated for C25H26FN4O3 (M+H)+: m/z=449.2. Found 449.1.
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