4,4,5,5-Tetramethyl-2-phenethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 4,4,5,5-Tetramethyl-2-phenethyl-1,3,2-dioxaborolane
• CAS No.: 165904-22-3
• Molecular Formula: C14H21BO2
• Molecular Weight: 232.131
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20462681
• Nikkaji Number: J1.113.133F
• Wikidata: Q82287250
• Mol file: 165904-22-3.mol

Synonyms:165904-22-3;2-Phenylethyl-1-boronic acid pinacol ester;4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane;Phenethylboronic Acid Pinacol Ester;4,4,5,5-tetramethyl-2-(2-phenylethyl)-1,3,2-dioxaborolane;2-PHENYLETHYLBORONIC ACID, PINACOL ESTER;1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-phenylethyl)-;MFCD03788721;PhenethylboronicAcidPinacolEster;SCHEMBL5704278;DTXSID20462681;AC1863;AKOS015995046;2-Phenylethylboronic acid,pinacol ester;AB16065;CS-12310;SY046177;CS-0174174;FT-0613333;EN300-7110361;A882361;J-010239;J-513985;CIS-2-(4-BROMOBENZOYL)-1-CYCLOHEXANE-CARBOXYLICACID

Chemical Property of 4,4,5,5-Tetramethyl-2-phenethyl-1,3,2-dioxaborolane

Chemical Property:

• Vapor Pressure: 0.00363mmHg at 25°C
• Melting Point: 31-33℃
• Refractive Index: 1.4860
• Boiling Point: 70-80℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.1634601
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

4,4,5,5-Tetramethyl-2-phenethyl-1,3,2-dioxaborolane 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)CCC2=CC=CC=C2

Technology Process of 4,4,5,5-Tetramethyl-2-phenethyl-1,3,2-dioxaborolane

There total 141 articles about 4,4,5,5-Tetramethyl-2-phenethyl-1,3,2-dioxaborolane 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: 96.0%

1-phenyl-2-bromoethane (103-63-9) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane (165904-22-3)

Guidance literature:

With chlorotris(triphenylphosphine)cobalt(I); sodium ethanolate; 1,3-dicyclohexylimidazol-2-ylidene; In tert-butyl methyl ether; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c00038

Reference yield: 94.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → ethylbenzene (100-41-4,27536-89-6) + 4,4,5,5-tetramethyl-2-((E)-styryl)-[1,3,2]dioxaborolane (83947-56-2) + 4,4,5,5-tetramethyl-2-(1-phenyl-ethyl)-[1,3,2]dioxaborolane (174090-36-9) + 4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane (165904-22-3)

Guidance literature:

chloro(1,5-cyclooctadiene)rhodium(I) dimer; In toluene; pinacolborane and vinylarene were added to a mixt. of Rh-complex in toluene under Ar, the mixt. was stirred at room temp. for 4 h; diluted with toluene, washed with water, dried over MgSO4, evapd., distilled with Kugelrohr or chromy. on silica gel;

DOI:10.1246/bcsj.75.825

Reference yield: 89.0%

2-(1-chloro-2-phenylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1259299-79-0) → (S)-2-(1-chloro-2-phenylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1259299-92-7) + 4,4,5,5-tetramethyl-2-phenethyl-1,3,2-dioxaborolane (165904-22-3)

Guidance literature:

With (η-1,5-cyclooctadiene) {[4(R),5(R)]-1-benzoyl-2-[(S)-2-diphenylphosphinoferrocenyl]-4,5-diphenyl-4,5-dihydro-1-imidazole} iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen; In dichloromethane; at 50 ℃; for 12h; under 7500.75 Torr; optical yield given as %ee; enantioselective reaction;

DOI:10.1002/anie.201106262

upstream raw materials:

styrene

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

ethylbenzene

bis(pinacol)diborane

Downstream raw materials:

(R)-2-(1,4-diphenyl-2-butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-phenylethanol

(+)-(S)-4-phenylbutan-2-ol

(R)-4-phenyl-2-butanol

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