5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane

Base Information

• Chemical Name: 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane
• CAS No.: 5123-13-7
• Molecular Formula: C11H15BO2
• Molecular Weight: 190.05
• Hs Code.: 2934999090
• European Community (EC) Number: 627-419-7
• DSSTox Substance ID: DTXSID70472654
• Nikkaji Number: J1.429.487B
• Wikidata: Q82301681
• Mol file: 5123-13-7.mol

Synonyms:5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane;5123-13-7;Phenylboronic acid, neopentyl ester;Phenylboronic acid neopentylglycol ester;(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzene;Phenylboronic Acid Neopentyl Glycol Ester;MFCD05663851;1,3,2-Dioxaborinane, 5,5-dimethyl-2-phenyl-;SCHEMBL2274567;DTXSID70472654;FQMSNYZDFMWLGC-UHFFFAOYSA-N;AMY13266;AKOS015960180;AB21950;AS-3037;CS-W015916;SY057258;2-phenyl-5,5-dimethyl-1,3,2-dioxaborinane;D4195;FT-0692648;Phenylboronic acid neopentylglycol ester, 97%;2-phenyl-5,5-dimethyl-1,3,2-dioxaboracyclohexane

Chemical Property of 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 62-66 °C(lit.)
• Refractive Index: 1.493
• Boiling Point: 287.761°C at 760 mmHg
• Flash Point: 127.834°C
• PSA: 18.46000
• Density: 1.008g/cm³
• LogP: 1.45480
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.1165099
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CC=CC=C2

Technology Process of 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane

There total 78 articles about 5,5-Dimethyl-2-phenyl-1,3,2-dioxaborinane 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%

2,2-Dimethyl-1,3-propanediol (126-30-7) + phenylboronic acid (98-80-6) → 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7)

Guidance literature:

With magnesium sulfate; In diethyl ether; at 25 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ja412159g

Reference yield: 97.0%

phenyl methanesulfonate (16156-59-5) + 5,5-dimethyl-1,3,2-dioxaborinane (668987-38-0) → 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); triethylamine; zinc; In toluene; at 100 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja910808x

Reference yield: 95.0%

triphenylantimony(V) diacetate (1538-62-1,34716-94-4) + 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane (201733-56-4) → 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; In 1,2-dimethoxyethane; at 60 ℃; for 3h; Reagent/catalyst; Solvent; Time; Concentration; Catalytic behavior;

DOI:10.1016/j.jorganchem.2014.04.006

upstream raw materials:

triphenylboroxine

2,2-Dimethyl-1,3-propanediol

diphenyldiboronic acid

phenylboronic acid

Downstream raw materials:

benzyl alcohol

methyl 6-methoxybiphenyl-3-carboxylate

1,4-diphenylpiperidine

3,5-di-tert-butylphenyl phenyl ether