Bis(neopentyl glycolato)diboron

Base Information

• Chemical Name: Bis(neopentyl glycolato)diboron
• CAS No.: 201733-56-4
• Molecular Formula: C10H20B2O4
• Molecular Weight: 225.888
• Hs Code.: 29349990
• European Community (EC) Number: 639-407-9
• UNII: TU2GUX2HET
• DSSTox Substance ID: DTXSID70370207
• Nikkaji Number: J1.512.193I
• Wikidata: Q72446584
• Mol file: 201733-56-4.mol

Synonyms:Bis(neopentanediolato)diboron;

Chemical Property of Bis(neopentyl glycolato)diboron

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.229mmHg at 25°C
• Melting Point: 180.5-184.5 °C(lit.)
• Refractive Index: 1.427
• Boiling Point: 214.278 °C at 760 mmHg
• Flash Point: 83.393 °C
• PSA: 36.92000
• Density: 0.998 g/cm³
• LogP: 1.18720
• Storage Temp.: 0-6°C
• Sensitive.: moisture sensitive
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.1547694
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Bis(neopentyl glycolato)diboron ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C
• General Description: Bis(neopentyl glycolato)diboron (B2neop2) is a diboron reagent used in Pd-catalyzed dehydrogenative O-borylation reactions with silanols to form borasiloxanes, offering a clean and efficient synthetic route under mild conditions with hydrogen gas as the sole byproduct. This reagent, along with other diboron compounds, enables selective Si-O-B bond formation, contributing to the development of borasiloxanes with applications in materials chemistry, including heat-resistant materials, chemical sensors, and polymer modifications. The method highlights the versatility of B2neop2 in facilitating environmentally friendly and practical syntheses of boron-containing materials.

Technology Process of Bis(neopentyl glycolato)diboron

There total 5 articles about Bis(neopentyl glycolato)diboron 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: 64.0%

tetrakis(dimethylamido)diborane (1630-79-1) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4)

Guidance literature:

In diethyl ether; N2-atmosphere; addn. of 2 equiv. diol to B-compd., stirring for at room temp. for 5 h; cooling to -78°C, addn. of excess 1 M HCl in Et2O, slow warming to room temp., solvent removal (vac.), extn. into hexane (Soxhlet), recrystn. (hexane/CH2Cl2=9:1); elem. anal.;

DOI:10.1021/ic980425a

Reference yield: 54.5%

2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4)

Guidance literature:

With tetrakis(dimethylamido)diborane; In toluene; at 20 - 105 ℃; for 1.03333h;

Reference yield: 54.0%

5,5-dimethyl-1,3,2-dioxaborinane (668987-38-0) → 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4)

Guidance literature:

With C₃₃H₅₂FeN₂Si; for 8h; Reflux; Inert atmosphere;

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

tetrakis(dimethylamido)diborane

tetrahydroxydiboron

5,5-dimethyl-1,3,2-dioxaborinane

Downstream raw materials:

5,5-dimethyl-2-[β-(4-methoxyphenylethenyl)]-1,3,2-dioxaborinane

6′,6″-di(pyridin-2-yl)-2,2′:4′,4″:2″,2′′′-quaterpyridine

3-pyridylboronic acid

4′-methoxy-2,2′:6′,2′′-terpyridine

Refernces

A convenient and clean synthetic method for borasiloxanes by Pd-catalysed reaction of silanols with diborons

10.1039/c7cc02420g

The research focuses on the development of a convenient and clean synthetic method for borasiloxanes, which are valuable chemicals in materials chemistry due to their excellent heat resistance and unique properties applicable to various fields such as chemical sensors, electrolyte additives, and ceramic precursors. The study introduces a Pd-catalyzed selective Si-O-B bond-forming reaction through dehydrogenative O-borylation of a variety of silanols with easily available diborons, such as bis(pinacolato)diboron (B2pin2), bis(neopentyl glycolato)diboron (B2neop2), bis(hexylene glycolato)diboron (B2hexyl2), and bis(catecholato)diboron (B2cat2). The process is efficient, takes place under mild conditions, and generates only hydrogen gas as a byproduct, making it environmentally friendly. The successful use of diborons with Pd catalysts for borasiloxane synthesis is a unique point compared to previously reported methods, and the high activity of the commonly-used air-stable Pd acetate catalyst makes this method potentially applicable for modifying silanol group-containing materials like silicone polymers to improve their physical properties or add new chemical properties based on boron moieties. The study concludes that this new simple method for the preparation of Si-O-B compounds using readily available silanols and diboron reagents could have significant practical applications.

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