943911-66-8|N-(2-Hydroxyethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide| Ambeed

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Quality Control of [ 943911-66-8 ] Purity: 96% SDS Specification

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Product Details of [ 943911-66-8 ]

CAS No. :	943911-66-8
Formula :	C₁₅H₂₂BNO₄
M.W :	291.15
SMILES Code :	O=C(NCCO)C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1
MDL No. :	MFCD06795647
InChI Key :	UGQVQMMBKIVZDS-UHFFFAOYSA-N
Pubchem ID :	17998903

Safety of [ 943911-66-8 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H312-H332
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 943911-66-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 943911-66-8 ]

[ 943911-66-8 ] Synthesis Path-Downstream 1~3

1
[ 1011472-14-2 ]
[ 943911-66-8 ]
C₁₄H₁₅N₅O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
20%	With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In tetrahydrofuran; water; at 160.0℃; for 0.166667h;Microwave irradiation;	to a solution of LG2-95 (34 mg, 0.110 mmol), N-(2- hydroxyethyl)-3-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)-benzamide (63 mg, 0.203 mmol, 1.85 equiv.) and Tetrakis(triphenylphosphine)-palladium(0) (147 mg, 0.127 mmol,1.15 equiv) in THF (1.0 ml) was added 0.5 ml of aqueous 1 N K2CO3 solution. The resultant mixture was heated at 160 0C under microwave irradiation for 10 min. The mixture was diluted with EtOAc, and the organic phase was separated out. After removal of solvent, theHOU03: 1125151 <n="26"/>residue was subjected to flash column chromatography on silica gel (elution with CH2C12- acetone) to yield LG2-98 as a white solid (8.8 mg, 20%). ESI-MS: m/z 394 (M+l); IH NMR (600 MHz, CDC13): δ 8.00 (IH, br. s), 7.81 (IH, d, J= 7.8 Hz), 7.69 (IH, d, J= 7.8 Hz), 7.60 (3H, m), 7.44 (IH, d, J= 4.8 Hz), 7.23 (IH, dd, J= 0.9, 5.1 Hz), 7.10 (IH, d, J= 3.0 Hz), 6.97 (IH, dd, J= 5.1, 3.0 Hz), 5.00 (2H, d, J= 5.4 Hz), 3.88 (2H, dd, J= 4.8, 9.6 Hz), 3.68 (2H, J= 4.8, 9.6 Hz); 13C NMR (150.9 MHz, CDC13): δ 167.58, 148.88, 141.20, 135.46, 133.75, 131.05, 130.80, 129.51, 129.25, 129.22, 127.34, 126.85, 126.74, 126.72, 126.10, 125.09, 107.94, 62.09, 42.85, 39.49.

References: [1]Patent: WO2008/30795,2008,A2 .Location in patent: Page/Page column 24-25.

2
[ 1011472-16-4 ]
[ 943911-66-8 ]
[ 1011472-17-5 ]

Yield	Reaction Conditions	Operation in experiment
73%	With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In tetrahydrofuran; water; at 160.0℃; for 0.166667h;Microwave irradiation;	to a solution of LG2-91 (39 mg, 0.121 mmol), N-(2- hydroxyethyl)-3-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)-benzamide (99 mg, 0.340 mmol, 2.8 equiv.) and Tetrakis(triphenylphosphine)-palladium(0) (49 mg, 0.042 mmol) in THF (1.0 ml) was added 0.5 ml of aqueous 1 N K2CO3 solution. The resultant mixture wasHOU03:1125151 <n="27"/>heated at 160 0C under microwave irradiation for 10 min. The mixture was diluted with EtOAc, and the organic phase was separated out. After removal of solvent, the residue was subjected to flash column chromatography on silica gel (elution with CH2C12-MeOH) to yield LG2-96 as a pale brown foam (37 mg, 73%). ESI-MS: mix 406 (M+l); IH NMR (600 MHz, CDC13): δ 8.01 (IH, s), 7.80 (IH, d, J= 7.8 Hz), 7.68 (IH, d, J= 7.2 Hz), 7.60 (3H, m), 7.40 (3H, m), 7.03 (2H, t, J= 8.4 Hz), 6.67 (IH, br. s, OH), 6.34 (IH, t, J= 5.4 Hz, NH), 4.79 (2H, d, J= 5.4 Hz), 3.87 (2H, t, J= 5.4 Hz), 3.68 (2H, J= 5.4, 10.2 Hz); 13C NMR (150.9 MHz, CDC13): δ 167.61, 162.17 (d, UC-F= 245 Hz), 149.14, 135.41, 134.29, 133.66, 130.82, 130.67, 129.47, 129.41, 129.30, 128.99, 127.38, 126.86, 126.69, 115.45 (d, 2JC-F = 21 Hz), 107.76, 61.78, 43.97, 42.87

References: [1]Patent: WO2008/30795,2008,A2 .Location in patent: Page/Page column 25-26.

3
[ 269409-73-6 ]
[ 141-43-5 ]
[ 943911-66-8 ]

Yield	Reaction Conditions	Operation in experiment
		To a solution of 3-(4,4,5,5-tetramethyl-l,3,2- dioxaborolan-2-yl)-benzoic acid (1.15 g, 4.63 mmol) and HBTU (1.52 g, 4.03 mmol) in anhydrous DMF (20 ml) was added N,N-diisopropylethylamine (1.2 ml, 6.71 mmol). The resultant solution was stirred at room temperature for 45 min. Ethanolamine (0.29 ml, 4.84 mmol) was added slowly to the solution, and the stirring was continued for another 25 h. After evaporation of solvent, the residue was subjected to flash column chromatography on silica gel (elution with CH2C12-EtOAC) to yield N-(2-hydroxyethyl)-3-(4,4,5,5-tetramethyl- l,3,2-dioxaborolan-2-yl)-benzamide as white crystals (398 mg). ESI-MS: m/z 292 (M+l); IH NMR (600 MHz, CDC13): δ 8.11 (IH, s), 7.98 (IH, d, J= 7.2 Hz), 7.94 (IH, d, J= 7.2 Hz), 7.46 (IH, t, J= 7.2 Hz), 3.85 (2H, t, J= 4.8 Hz), 3.64 (2H, dd, J= 4.8, 10.2 Hz); 13C NMR (150.9 MHz, CDC13): δ 168.69, 138.00, 133.42, 132.39, 130.52, 128.21, 84.19, 62.47, 42.97, 24.88.

References: [1]Patent: WO2008/30795,2008,A2 .Location in patent: Page/Page column 25.

Historical Records

Technical Information

• Acyl Group Substitution • Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chugaev Reaction • Complex Metal Hydride Reductions • Corey-Kim Oxidation • Dess-Martin Oxidation • Hydride Reductions • Jones Oxidation • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Petasis Reaction • Preparation of Alcohols • Preparation of Amines • Reactions of Alcohols • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions with Organometallic Reagents • Ritter Reaction • Sharpless Olefin Synthesis • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Swern Oxidation • Ugi Reaction

Related Functional Groups of
[ 943911-66-8 ]

Organoborons

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Aryls

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Alcohols

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Amides

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Amines

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CAS No.: 943911-66-8

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