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[ CAS No. 936728-22-2 ]

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Chemical Structure| 936728-22-2
Chemical Structure| 936728-22-2
Structure of 936728-22-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 936728-22-2 ]

CAS No. :936728-22-2 MDL No. :MFCD12756465
Formula : C13H16BFO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :266.07 g/mol Pubchem ID :-
Synonyms :

Safety of [ 936728-22-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 936728-22-2 ]

  • Downstream synthetic route of [ 936728-22-2 ]

[ 936728-22-2 ] Synthesis Path-Downstream   1~13

  • 1
  • [ 124-38-9 ]
  • [ 1435-51-4 ]
  • [ 1195-66-0 ]
  • [ 936728-22-2 ]
YieldReaction ConditionsOperation in experiment
46% Stage #1: 1,3-dibromo-5-fluorobenzene With n-butyllithium In diethyl ether; hexane at -80℃; for 0.5h; Inert atmosphere; Stage #2: 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; diethyl ether; hexane at -70℃; for 0.5h; Inert atmosphere; Stage #3: carbon dioxide Further stages;
YieldReaction ConditionsOperation in experiment
86% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 110℃; Inert atmosphere; p General procedure: To a degassed souDon of 1,4-doxane (0.1 M), under an atmosphere of ntrogen,was addedthe benzoc acid (1 eq.), bs(pnacoato)dthoron (1 .5 eq.), and KOAc (4.4 eq.) sequenUafly.The mixture was degassed once again and then PdC2(dppf) (5 mo%) was added. Theresutng souUon was heated to 110°C overnight. The sovent was removed in vacuo to givea dark gummy residue, which was taken up nto EtOAc and H20. The organic ayer was separated and the aqueous was further extracted with EtOAc (2x). The combined organic ayers were washed with 2 M HC, dried over MgSO4 and concentrated in vacuo to give a dark brown sohd. The resutng sohd was trtu rated wth petroeum benzne to afford the Uflecompound. The foHowng compounds were made by the 8uzuk couphng method E
  • 3
  • [ 936728-22-2 ]
  • [ 5985-99-9 ]
  • (R)-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(2-propylpiperidin-1-yl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
27% With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.833333h; 23.23a 23a) (R)-(3-Fluoro-5-(4,4,5,5-tetramethyl-I ,3,2-dioxaborolan-2-yl)phenyl)(2-propylpiperidin-I -yl)methanone To a solution of 3-fluoro-5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)benzoic acid (200 mg, 0.752 mmol), (R)-2-propylpiperidine (96 mg, 0.752 mmol) and 2,4,6-tripropyl- 1 ,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide (T3P) (492 jjl, 0.827 mmol) indichloromethane (3758 jjl) was added DIPEA (197 p1, 1.127 mmol). After 50 mm at RT, partitioned with 10 mL EtOAc and 5 mL brine, and separated the resulting layers. Back- extracted aqueous with 3 x 5 mL EtOAc. Dried combined organics over Na2SO4, filtered, concentrated in vacuo to give a yellow oil. Purified by normal-phase CombiFlash ISCO (12 g Gold column, 0-50% EtOAc:Hexanes) to give (R)-(3-fluoro-5-(4,4,5,5-tetramethyl-1 3,2-dioxaborolan-2-yl)phenyl)(2-propylpiperidin-1-yl)methanone aa a clear, colorless oil (75.5 mg, 0.201 mmol, 27% yield). LC-MS mlz 376.3 (M+H), 1 .39 mm (ret. time).
  • 4
  • [ 936728-22-2 ]
  • methyl 1-(3’-fluoro-5’-((R)-2-propylpiperidine-1-carbonyl)-[1,1‘-biphenyl]-3-yl)-2-(trans)-(2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl)-1H-pyrrole-3-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / dichloromethane / 0.83 h / 20 °C 2: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 1 h / 100 °C / Inert atmosphere
  • 5
  • [ 936728-22-2 ]
  • 1-(3'-fluoro-5'-((R)-2-propylpiperidine-1-carbonyl)-[1,1'-biphenyl]-3-yl)-2-(trans)-(2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl)-1H-pyrrole-3-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / dichloromethane / 0.83 h / 20 °C 2: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,4-dioxane; water / 1 h / 100 °C / Inert atmosphere 3: water; sodium hydroxide / methanol / 3 h / 80 °C
  • 9
  • [ 936728-22-2 ]
  • N'-(3-fluoro-5-(pyridin-2-yl)benzoyl)benzenesulfonohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / water; N,N-dimethyl-formamide / 110 °C / Inert atmosphere 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / acetonitrile / 40 °C / Inert atmosphere
  • 10
  • [ 936728-22-2 ]
  • N-(3-fluoro-5-(pyrimidin-2-yl)benzoyl)benzenesulfonohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / water; N,N-dimethyl-formamide / 110 °C / Inert atmosphere 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / acetonitrile / 40 °C / Inert atmosphere
  • 11
  • [ 936728-22-2 ]
  • 2-(3-fluoro-5-(2-((2-fluorophenyl)sulfonyl)hydrazinecarbonyl)phenyl)pyridine 1-oxide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / water; N,N-dimethyl-formamide / 110 °C / Inert atmosphere 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / acetonitrile / 40 °C / Inert atmosphere 3: 3-chloro-benzenecarboperoxoic acid / dichloromethane
  • 12
  • [ 936728-22-2 ]
  • 2-fluoro-N'-(3-fluoro-5-(pyrimidin-2-yl)benzoyl)benzenesulfonohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / water; N,N-dimethyl-formamide / 110 °C / Inert atmosphere 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / acetonitrile / 40 °C / Inert atmosphere
  • 13
  • [ 936728-22-2 ]
  • 2-fluoro-N'-(3-fluoro-5-(pyridin-2-yl)benzoyl)benzenesulfonohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / water; N,N-dimethyl-formamide / 110 °C / Inert atmosphere 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / acetonitrile / 40 °C / Inert atmosphere
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