4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-1,3,2-dioxaborolane

Base Information

• Chemical Name: 4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-1,3,2-dioxaborolane
• CAS No.: 872038-32-9
• Molecular Formula: C14H18 B F3 O3
• Molecular Weight: 302.101
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00584779
• Wikidata: Q82476499
• Mol file: 872038-32-9.mol

Synonyms:872038-32-9;4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-1,3,2-dioxaborolane;4-(Trifluoromethoxy)benzylboronic acid pinacol ester;4-(Trifluoromethoxy)phenylmethylboronic acid, pinacol ester;4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-{[4-(trifluoromethoxy)phenyl]methyl}-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-[4-(trifluoromethoxy)benzyl]-1,3,2-dioxaborolane;DTXSID00584779;MFCD08276838;AKOS022173110;AM85265;CS-W008546;AS-55782;4-(Trifluoromethoxy)benzylboronic acid pinacol ester, 97%;4-(Trifluoromethoxy)phenylmethylboronic acid,pinacol ester;1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-

Chemical Property of 4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-1,3,2-dioxaborolane

Chemical Property:

• Vapor Pressure: 0.00453mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 100 °C/0.2 mmHg
• Flash Point: 105 °C
• PSA: 27.69000
• Density: 1.139 g/mL at 25 °C
• LogP: 4.02550
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 302.1301091
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

97% ^*data from raw suppliers

4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-1,3,2-dioxaborolane ^*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)CC2=CC=C(C=C2)OC(F)(F)F

Technology Process of 4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-1,3,2-dioxaborolane

There total 7 articles about 4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)benzyl)-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: 71.0%

4-trifluoromethoxybenzyl bromide (50824-05-0) + Li[B2pin2(tBu)] → 4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane (872038-32-9)

Guidance literature:

With magnesium bromide ethyl etherate; iron(II) bromide; In tetrahydrofuran; n-heptane; at 20 ℃; for 1h;

DOI:10.1021/om500847j

Reference yield: 65.0%

4-trifluoromethoxybenzyl bromide (50824-05-0) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane (872038-32-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate; palladium diacetate; In 1,4-dioxane; at 65 - 100 ℃; for 19h; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.04.008

Reference yield: 63.0%

4-(trifluoromethoxy)phenyl trifluoromethanesulfonate + 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (78782-17-9) → 4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane (872038-32-9)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; palladium diacetate; triphenylphosphine; In 1,4-dioxane; water; at 20 ℃; Inert atmosphere;

DOI:10.1039/c6ra09959a

upstream raw materials:

4-trifluoromethoxybenzyl bromide

bis(pinacol)diborane

triethyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane

p-methyl-α,α,α-trifluoromethoxybenzene

Downstream raw materials:

N-(4-(trifluoromethoxy)benzyl)acetamide

potassium (4-(trifluoromethoxy)benzyl)trifluoroborate

N⁴-benzyl-3-nitro-6-(4-(trifluoromethoxy)benzyl)-N²-(2,4,4-trimethylpentan-2-yl)pyridine-2,4-diamine

C₂₄H₁₈F₃NO₂

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