360792-43-4|tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethylcarbamate| Ambeed

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Quality Control of [ 360792-43-4 ] Purity: 95% SDS Specification

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Product Details of [ 360792-43-4 ]

CAS No. :	360792-43-4
Formula :	C₁₉H₃₀BNO₄
M.W :	347.26
SMILES Code :	O=C(OC(C)(C)C)NCCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
MDL No. :	MFCD22415459
InChI Key :	MGDIIQXOACAHIU-UHFFFAOYSA-N
Pubchem ID :	20806728

Safety of [ 360792-43-4 ]

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 [ 360792-43-4 ]

* 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 [ 360792-43-4 ]

[ 360792-43-4 ] Synthesis Path-Downstream 1~2

1
[ 120157-97-3 ]
[ 73183-34-3 ]
[ 360792-43-4 ]

Yield	Reaction Conditions	Operation in experiment
100%	With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80℃; for 18h;	A mixture of tert-butyl 4-bromophenethylcarbamate (C48) (0.68 g, 2.3 mmol), bis(pinacolato)diborane (0.89 g, 3.5 mmol), potassium acetate (0.69 g, 7.0 mmol), [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (0.10 g, 0.14 mmol), and 1,1'-bis(diphenylphosphino)ferrocene (0.075 g, 0.14 mmol) in anhydrous dioxane (7 mL) was heated at 80 C. for 18 hours. The reaction was cooled, diluted with ethyl acetate, and washed with water. The aqueous layer was extracted with ethyl acetate. The combined organic layers were dried over anhydrous sodium sulfate, filtered and concentrated. The crude compound was adsorbed onto silica gel and purified by flash column chromatography using 0-60% ethyl acetate/hexanes as eluent to afford the title compound as a clear oil (0.86 g, 104%): 1H NMR (400 MHz, CDCl3) delta 7.75 (d, J=7.9 Hz, 2H), 7.23-7.17 (m, 2H), 4.51 (s, 1H), 3.46-3.28 (m, 2H), 2.81 (t, J=7.1 Hz, 2H), 1.43 (s, 9H), 1.34 (s, 12H); ESIMS m/z 348 ([M+H]+).
85%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 120℃; for 12h;Inert atmosphere;	Under argon protection,Compound (h) (600 mg, 2.0 mmol) was added sequentially to a 50 mL two-necked flask.Anhydrous potassium acetate (588 mg, 6 mmol),Diterpenoid borate (607mg, 2.4mmol) and PdCl2 (dppf)(44mg, 0.06mmol),Add 20 mL of anhydrous dioxane (1:1 by volume),The mixture was reacted at 120 C for 12 hours.After the reaction was completed, it was cooled to room temperature. Filtered with suction and the filtrate was extracted with ethyl acetate.Wash with water and wash with saturated NaCl.The organic phases were combined and dried over anhydrous sodium sulfate. The solvent was removed under reduced pressure.Separation by column method, eluent:Petroleum ether (PE) / ethyl acetate (EA) = (20:1),A white solid (566 mg, 85%) was obtained.
40.58 g	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In tetrahydrofuran; at 65℃; for 16h;	Dissolved <strong>[120157-97-3]tert-butyl N-[2-(4-bromophenyl)ethyl]carbamate</strong> (?124.95 mmol) in THF (500 mL). Added bis(pinacolato)diboron (44.0 g, 174.93 mmol), palladium chloride diphenyl phosphine ferrocene (10.2 g, 10 mol %) and potassium acetate (36.8 g, 374.85 mmol). Heated to 65 C. for 16 hours. Removed solvent and purified using normal phase chromatography (0-100% EtOAc in heptanes) to yield 40.58 g of product; 1H NMR (400 MHz, CHLOROFORM-d) delta ppm 1.35 (s, 12H) 1.44 (s, 9H) 2.82 (t, J=6.74 Hz, 2H) 3.38 (d, J=5.86 Hz, 2H) 4.18-4.71 (m, 1H) 7.21 (d, J=7.42 Hz, 2H) 7.76 (d, J=7.61 Hz, 2H).

References: [1]Patent: US2014/274688,2014,A1 .Location in patent: Paragraph 0374; 0375.
[2]Patent: CN108794490,2018,A .Location in patent: Paragraph 0070; 0071; 0072.
[3]ACS Medicinal Chemistry Letters,2018,vol. 9,p. 635 - 640.
[4]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 5022 - 5027.
[5]Patent: US10239885,2019,B1 .Location in patent: Page/Page column 18.

2
[ 360792-43-4 ]
[ 1000623-95-9 ]
C₅₆H₇₄N₄O₆S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In diethylene glycol dimethyl ether; water; at 85℃; for 8h;Inert atmosphere;	Under argon protection,Compound (i) (230 mg, 0.66 mmol), K2CO3 (125 mg, 0.9 mmol), compound (d) (205 mg, 0.3 mmol) and Pd(PPh3)4 (34 mg, 0.03 mmol) were added in a 50 mL two-necked flask.Add 25 mL of ethylene glycol dimethyl ether and water mixed solvent (4:1 by volume).The mixture was reacted at 85 C for 8 hours. After completion of the reaction, the mixture was cooled to room temperature, and the solvent was evaporated under reduced pressure. 10 mL of water was added to the reaction mixture, and the mixture was extracted with dichloromethane.The organic phases were combined and dried over anhydrous sodium sulfate. The solvent was removed under reduced pressure and separated by column chromatography. eluent: dichloromethane (DCM) / petroleum ether (PE) = (4:1)The dark purple solid compound 10 (200 mg, 70%) was obtained.

References: [1]Patent: CN108794490,2018,A .Location in patent: Paragraph 0073; 0074; 0075; 0076; 0077.

Historical Records

Technical Information

• Acyl Group Substitution • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • Hydride Reductions • Lawesson's Reagent • Leuckart-Wallach Reaction • Mannich Reaction • Petasis Reaction • Preparation of Amines • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction

Related Functional Groups of
[ 360792-43-4 ]

Organoborons

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Aryls

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Amides

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Amines

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CAS No.: 360792-43-4

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