(3-Bromomethylphenyl)boronic acid neopentyl glycol ester

Base Information

• Chemical Name: (3-Bromomethylphenyl)boronic acid neopentyl glycol ester
• CAS No.: 143805-78-1
• Molecular Formula: C12H16BBrO2
• Molecular Weight: 282.973
• Hs Code.: 2931900090
• Mol file: 143805-78-1.mol

Synonyms:p-Bromomethylphenylboronicacid neopentyl ester;

Chemical Property of (3-Bromomethylphenyl)boronic acid neopentyl glycol ester

Chemical Property:

• Vapor Pressure: 2.59E-05mmHg at 25°C
• Melting Point: 86-90
• Refractive Index: 1.528
• Boiling Point: 369.026 °C at 760 mmHg
• Flash Point: 176.981 °C
• PSA: 49.69000
• Density: 1.299 g/cm³
• LogP: 1.30410
• Storage Temp.: Keep Cold

Purity/Quality:

97% ^*data from raw suppliers

3-(Bromomethyl)phenylboronic acid pinacol ester95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3-Bromomethylphenyl)boronic acid neopentyl glycol ester

There total 6 articles about (3-Bromomethylphenyl)boronic acid neopentyl glycol 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: 89.0%

5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3) → 2-(4-bromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (143805-78-1)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 12h; Reflux;

DOI:10.1021/ja306288p

Reference yield:

4-methylphenylboronic acid (5720-05-8) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-(4-bromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (143805-78-1) + 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3)

Guidance literature:

4-methylphenylboronic acid; 2,2-Dimethyl-1,3-propanediol; In cyclohexane; for 1.5h; Heating / reflux;

With N-Bromosuccinimide; dibenzoyl peroxide; In cyclohexane; for 2h; Heating / reflux;

Reference yield:

5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3) → 2-(4-bromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (143805-78-1) + 2-(4-dibromomethyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane (1006598-62-4)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile); In cyclohexane; at 79 ℃;

DOI:10.1021/jo034372c

upstream raw materials:

5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane

para-bromotoluene

2,2-Dimethyl-1,3-propanediol

4-methylphenylboronic acid

Downstream raw materials:

5-chloro-3-[4-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)benzyl]-2-phenyl-3H-imidazole-4-carbaldehyde

3-[4-(4-chloro-5-formyl-2-phenyl-imidazol-1-ylmethyl)phenyl]-5-isobutylthiophene-2-(3-ethyl) sulfonylurea

N,N'-4,4'-bis(benzyl-4''-boronic acid)bipyridinium dibromide

(HO)2BC₆H₄CH₂OC₂₀H₁₀O₃(OH)