1154740-49-4|5-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine| Ambeed

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CAS No. :	1154740-49-4
Formula :	C₁₅H₂₂BNO₃
M.W :	275.15
SMILES Code :	CC1(C)C(C)(C)OB(C2=CC=C3OCCNC3=C2C)O1
MDL No. :	MFCD22627856

Yield	Reaction Conditions	Operation in experiment
65%	With potassium acetate;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 90℃; for 5.58333h;	Step 5:A well stirred DMF (15 mL) solution of the arylbromide 5e (0.50 g, 2.19 mmol), potassium acetate (0.728 g, 7.67 mmol) and bis(pinacolato)diborane (0.83 g, 3.3 mmol) is degassed by bubbling Ar through the solution for 20 min. PdCI2(dppf)-DCM (320 mg, 0.44 mmol) is added and degassing is continued for 15 min. The system is sealed (teflon screw cap vessel) under Ar and heated to ~90C for 5 h. The reaction mixture is allowed to cool to RT, dilute with EtOAc (150 mL), washed with brine (3 x 100 mL) and water (2 x 100 mL), dried over anhydrous MgSO4, filtered and concentrated to dryness. The residue is purified by CombiFlash Companion (EtOAc/hexanes) to give the desired boronate 5f (389 mg, 65% yield) as a yellowish waxy solid.
65%	With potassium acetate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; at 90℃; for 5.58h;Sealed vessel;	A well stirred DMF (15 ml.) solution of the arylbromide 5e (0.50 g, 2.19 mmol, 1 eq), potassium acetate (0.728 g, 7.67 mmol, 3.5 eq) and bis(pinacolato)diborane (0.83 g, 3.3 mmol, 1.5 eq) is degassed by bubbling Ar through the solution for about 20 min. PdCI2(dppf)-DCM (320 mg, 0.44 mmol, 0.20 eq) is added and degassing is continued for about 15 min. The system is sealed (teflon screw cap vessel) under Ar and heated to ~90C for about 5 h. The reaction mixture is allowed to cool to RT, dilute with EtOAc (150 ml_), washed with brine (3 x 100 ml_) and water (2 x 100 ml_), dried over anhydrous MgSO4, filtered and concentrated to dryness. The residue is purified by CombiFlash Companion (EtOAc/hexanes) to give the desired boronate 5f (389 mg, 65% yield) as a yellowish waxy solid.
65%		A well stirred DMF (15 mL) solution of the arylbromide 5e (0 50 g, 2 19 mmol), potassium acetate (0 728 g, 7 67 mmol) and biotas(piotanacolato)diotaborane (0 83 g, 3 3 mmol) is degassed by bubbling Ar through the solution for 20 mm PdCI2(dppf)-DCM (320 mg, 0 44 mmol) is added and degassing is continued for 15 mm The system is sealed (teflon screw cap vessel) under Ar and heated to ~90C for 5 h The reaction mixture is allowed to cool to RT, dilute with EtOAc (150 mL), washed with brine (3 x 100 mL) and water (2 x 100 mL), dried over anhydrous MgSO4, filtered and concentrated to dryness The residue is purified by CombiFlash Companion (EtOAc/hexanes) to give the desired boronate 5f (389 mg, 65% yield) as a yellowish waxy solid

65%	With potassium acetate;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 90℃; for 5h;	A well stirred DMF (15 mL) solution of the arylbromide 5e (0.50 g, 2.19 mmol), potassium acetate (0.728 g, 7.67 mmol) and bis(pinacolato)diborane (0.83 g, 3.3 mmol) is degassed by bubbling Ar through the solution for 20 min. PdCI2(dppf)-DCM (320 mg, 0.44 mmol) is added and degassing is continued for 15 min. The system is sealed (teflon screw cap vessel) under Ar and heated to 900C for 5 h. The reaction mixture is allowed to cool to RT, dilute with EtOAc (150 mL), washed with brine (3 x 100 mL) and water (2 x 100 mL), dried over anhydrous MgSO4, filtered and concentrated to dryness. The residue is purified by CombiFlash Companion (EtOAc/hexanes) to give the desired boronate 5f (389 mg, 65% yield) as a yellowish waxy solid.
	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate; In N,N-dimethyl-formamide; at 90℃; under 760.051 Torr; for 1h;	A mixture of 6-bromo-5-methyl-3,4-dihydro-2H-benzo[b][1 ,4]oxazine (2.276 g, 9.98 mmol), potassium acetate (2.94 g, 29.9 mmol) and bis(pinacolato)diboron (3.80 g, 14.97 mmol) in Nu,Nu-dimethylformamide (DMF) (10 mL) was degassed with nitrogen. PdCI2(dppf)- CH2CI2 adduct (1 .630 g, 1 .996 mmol) was added and then the flask was immersed in a 90 C oil bath and heated for 1 hour. The mixture was cooled to ambient temperature and allowed to sit for several days. The mixture was filtered over Celite to remove the solids and the filter cake was washed with ethyl acetate. The filtrate was washed twice with water. The water was back extracted with ethyl acetate. The combined extracts were washed with brine, dried over sodium sulfate, filtered and concentrated. The residue was purified on silica gel (0-100% ethyl acetate/hexanes) to afford an off-white solid: 1H NMR (400MHz, CHLOROFORM-d) delta ppm 7.19 (d, J = 8.2 Hz, 1 H), 6.69 (d, J = 8.0 Hz, 1 H), 4.29 - 4.16 (m, 2 H), 3.59 (br. s., 1 H), 3.53 - 3.39 (m, 2 H), 2.35 (s, 3 H), 1.33 (s, 9 H); LC/MS (m/z) ES+ = 276 (M+1 ).

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CAS No.: 1154740-49-4

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CAS No.: 1154740-49-4

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