2-(4-Isobutylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(4-Isobutylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 1033753-01-3
• Molecular Formula: C16H25BO2
• Molecular Weight: 260.2
• Hs Code.: 2931900090
• European Community (EC) Number: 966-684-6
• DSSTox Substance ID: DTXSID50590365
• Wikidata: Q82484075
• Mol file: 1033753-01-3.mol

Synonyms:1033753-01-3;4-ISOBUTYLPHENYLBORONIC ACID, PINACOL ESTER;2-(4-Isobutylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-Isobutylphenylboronic acid pinacol ester;4,4,5,5-tetramethyl-2-[4-(2-methylpropyl)phenyl]-1,3,2-dioxaborolane;4-Isobutylphenylboronic aicd, pinacol ester;SCHEMBL648399;DTXSID50590365;MFCD05663842;AKOS015960147;AB21926;BS-2043;DB-367856;CS-0174826;D71346;EN300-6268845;A896485;J-000951;4-isobutylphenylboronic acid, pinacol ester, AldrichCPR;Z1336745199

Chemical Property of 2-(4-Isobutylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• PSA: 18.46000
• LogP: 3.18430
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 260.1947602
• Heavy Atom Count: 19
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

4-IsobutylphenylboronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(C)C
• Uses: 4-Isobutylphenylboronic acid, pinacol ester

Technology Process of 2-(4-Isobutylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 3 articles about 2-(4-Isobutylphenyl)-4,4,5,5-tetramethyl-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: 57.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + 4-isobutyl-phenylboronic acid (153624-38-5) → 4,4,5,5-tetramethyl-2-[4-(2-methylpropyl)phenyl]-1,3,2-dioxaborolane (1033753-01-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 12h; Molecular sieve;

DOI:10.1039/c8cc09523j

Reference yield:

1-bromo-4-isobutylbenzene (2051-99-2) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-[4-(2-methylpropyl)phenyl]-1,3,2-dioxaborolane (1033753-01-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 120 ℃; for 8h;

DOI:10.1016/j.bmcl.2012.10.029

Reference yield:

2,3-dimethyl-2,3-butane diol (76-09-5) + 1-phenyl-2-methylpropane (538-93-2) → 4,4,5,5-tetramethyl-2-[4-(2-methylpropyl)phenyl]-1,3,2-dioxaborolane (1033753-01-3) + 4,4,5,5-tetramethyl-2-(3-isobutylphenyl)-1,3,2-dioxaborolane (1416243-14-5)

Guidance literature:

1-phenyl-2-methylpropane; With aluminum (III) chloride; BCl₃*C₉H₁₃N; In 1,2-dichloro-benzene; at 150 ℃; for 90h; Glovebox; Inert atmosphere;

2,3-dimethyl-2,3-butane diol; With triethylamine; at 0 - 20 ℃; for 1h; Overall yield = 66 mg; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja3100963

upstream raw materials:

1-bromo-4-isobutylbenzene

bis(pinacol)diborane

2,3-dimethyl-2,3-butane diol

1-phenyl-2-methylpropane

Downstream raw materials:

C₁₄H₁₇N₃O

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