N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Base Information

• Chemical Name: N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• CAS No.: 325142-97-0
• Molecular Formula: C17H26BNO3
• Molecular Weight: 303.20400
• Hs Code.: 2931900090
• European Community (EC) Number: 687-322-0
• DSSTox Substance ID: DTXSID50592147
• Nikkaji Number: J3.530.740K
• Wikidata: Q82486096
• Mol file: 325142-97-0.mol

Synonyms:325142-97-0;N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-(N,N-DIETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER;3-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester;[3-(Diethylamine-1-carbonyl)phenyl]boronic acid pinacol ester;SCHEMBL15550347;DTXSID50592147;MFCD08458202;AKOS015960157;AM86860;AS-2342;AT13107;CS-0130649;A875594;J-018770;[3-(Diethylamine-1-carbonyl)phenyl]-boronic acid pinacol ester;4-(N,N-Diethylaminocarbonyl)phenylboronic acid,pinacol ester;3-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester, 95%

Chemical Property of N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Chemical Property:

• Vapor Pressure: 5.55E-08mmHg at 25°C
• Melting Point: 76-80°C
• Boiling Point: 432.1oC at 760 mmHg
• Flash Point: 215.1oC
• PSA: 38.77000
• Density: 1.04g/cm3
• LogP: 2.46780
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 303.2005739
• Heavy Atom Count: 22
• Complexity: 391

Purity/Quality:

97% ^*data from raw suppliers

3-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N(CC)CC

Technology Process of N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

There total 9 articles about N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

N,N-diethylbenzamide (1696-17-9) + bis(pinacol)diborane (73183-34-3) → N,N-diethyl-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide + N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide + N,N-diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (325142-97-0)

Guidance literature:

bis(pinacol)diborane; With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2’-bipyridine; In hexane; at 60 ℃; for 0.5h; Inert atmosphere; Glovebox; Sealed tube;

N,N-diethylbenzamide; With bis(2,6-di-tert-butyl-4-methylphenoxide)methylaluminum; In hexane; at 20 ℃; for 18h; Reagent/catalyst; Solvent; Time; Sealed tube;

DOI:10.1002/anie.201701238

Reference yield: 77.0%

N,N-diethylbenzamide (1696-17-9) + bis(pinacol)diborane (73183-34-3) → N,N-diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (325142-97-0)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; C₁₉H₁₃N₃O; potassium tert-butylate; In tetrahydrofuran; at 80 ℃; for 12h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201809929

Reference yield: 30.0%

N,N-diethylbenzamide (1696-17-9) + bis(pinacol)diborane (73183-34-3) → N,N-diethyl-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide + N,N-diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (325142-97-0)

Guidance literature:

bis(pinacol)diborane; With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; octylaluminum 3-([2,2'-bipyridin]-5-yl)-[1,1'-biphenyl]-2,2'-bis(olate); In tetrahydrofuran; hexane; at 60 ℃; for 0.5h; Inert atmosphere; Glovebox;

N,N-diethylbenzamide; In tetrahydrofuran; hexane; at 20 - 30 ℃; for 6h; Reagent/catalyst; Solvent; regioselective reaction; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.9b03138

upstream raw materials:

N,N-diethylbenzamide

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

bis(pinacol)diborane

benzoic acid

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