4-methylbenzeneboronic acid neopentyl ester

Base Information

• Chemical Name: 4-methylbenzeneboronic acid neopentyl ester
• CAS No.: 380481-66-3
• Molecular Formula: C12H17 B O2
• Molecular Weight: 204.077
• Hs Code.: 2934999090
• Mol file: 380481-66-3.mol

Synonyms:5,5-Dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane

Chemical Property of 4-methylbenzeneboronic acid neopentyl ester

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 93-95ºC
• Refractive Index: 1.493
• Boiling Point: 303 ºC at 760 mmHg
• Flash Point: 137ºC
• PSA: 18.46000
• Density: 0.99 g/cm³
• LogP: 1.76320

Purity/Quality:

97% ^*data from raw suppliers

4-MethylphenylboronicAcidNeopentylEster ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-methylbenzeneboronic acid neopentyl ester

There total 29 articles about 4-methylbenzeneboronic acid neopentyl ester 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: 100.0%

4-methylphenylboronic acid (5720-05-8) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3)

Guidance literature:

In tetrahydrofuran; for 1h; Inert atmosphere; Dean-Stark; Reflux;

DOI:10.1002/ejoc.201800767

Reference yield: 95.0%

4-tolyl iodide (624-31-7) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3)

Guidance literature:

4-tolyl iodide; With diisopropopylaminoborane; triethylamine; triphenylphosphine; palladium dichloride; In tetrahydrofuran; at 65 ℃; for 12h; Inert atmosphere;

2,2-Dimethyl-1,3-propanediol; In tetrahydrofuran; at 0 - 25 ℃; for 0.25h; Further stages; Inert atmosphere;

DOI:10.1016/j.tet.2010.11.065

Reference yield: 95.0%

para-chlorotoluene (106-43-4) + 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4) → 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3)

Guidance literature:

With pyridine-4-carbonitrile; potassium phosphate; sodium oxalate; 2,4,5-tri(9H-carbazol-9-yl)-6-(ethyl(phenyl)amino)isophthalonitrile; In acetonitrile; at 20 ℃; for 24h; Irradiation; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.1c05994

upstream raw materials:

para-bromotoluene

2,2-Dimethyl-1,3-propanediol

tri(4-tolyl)boroxine

p-tolyl triflate

Downstream raw materials:

2-(4-bromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane

2-(4-dibromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane

(4,4'-dimethyl-1,1'-biphenyl)

1,1'-bisnaphthalene