5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one

Base Information

• Chemical Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one
• CAS No.: 862081-37-6
• Molecular Formula: C14H17BO4
• Molecular Weight: 260.098
• Hs Code.: 2932990090
• Mol file: 862081-37-6.mol

Synonyms:5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one;5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2-benzofuran-1-one

Chemical Property of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one

Chemical Property:

• PSA: 44.76000
• LogP: 1.65620

Purity/Quality:

97% ^*data from raw suppliers

5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2-benzofuran-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one is used to design to find inhibitors of the lymphocyte pore-forming protein perforin.

Technology Process of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one

There total 4 articles about 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one 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: 76.0%

5-bromophthalide (64169-34-2) + bis(pinacol)diborane (73183-34-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one (862081-37-6)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 90 ℃;

DOI:10.1021/acs.jmedchem.0c00797

Reference yield: 57.0%

→ 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one (862081-37-6)

Guidance literature:

Reference yield:

5-bromophthalide (64169-34-2) + 2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (126726-62-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one (862081-37-6)

Guidance literature:

With potassium acetate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; In 1,4-dioxane; water; at 100 ℃; for 4h;

upstream raw materials:

5-bromophthalide

bis(pinacol)diborane

6-bromophthalide

2-isopropenyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Downstream raw materials:

3-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)benzaldehyde

(E,Z)-1-benzyl-3-((5-(1-oxo-1,3-dihydroisobenzofuran-5-yl)thiophen-2-yl)methylene)pyrrolidin-2-one

(E,Z)-1-(4-methoxybenzyl)-3-((5-(1-oxo-1,3-dihydroisobenzofuran-5-yl)thiophen-2-yl)methylene)pyrrolidin-2-one

(E,Z)-1-(4-methoxybenzyl)-3-((5-(1-oxo-1,3-dihydroisobenzofuran-5-yl)thiophen-2-yl)methylene)piperidin-2-one

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