2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Base Information

• Chemical Name: 2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS No.: 94838-82-1
• Molecular Formula: C13H17 B O4
• Molecular Weight: 248.087
• Hs Code.: 2934999090
• European Community (EC) Number: 674-999-2
• DSSTox Substance ID: DTXSID80375243
• Nikkaji Number: J2.896.232K
• Wikidata: Q82163772
• Mol file: 94838-82-1.mol

Synonyms:94838-82-1;2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,4-methylenedioxyphenylboronic acid, pinacol ester;3,4-Ethylenedioxybenzene boronic acid, pinacol ester;2-(1,3-benzodioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzo-1,3-dioxole;1,3-Benzodioxole-5-boronic Acid Pinacol Ester;3,4-Methylenedioxyphenylboronic acid pinacol ester;MFCD05663889;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo-1,3-dioxole;SCHEMBL3148663;DTXSID80375243;OZPPRBAFKGOJLZ-UHFFFAOYSA-N;AKOS015944449;AB22033;DS-6643;SY063770;AM20041452;CS-0029530;FT-0642290;EN300-267519;A845111;Z1336747698;BENZO[D][1,3]DIOXOL-5-YLBORONIC ACID PINACOL ESTER;3,4-Methylenedioxyphenylboronic acid, pinacol ester, AldrichCPR;2-(1,3-dioxaindan-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,3-Benzodioxole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;2-(1,3-Benzodioxole-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzo[1,3]dioxole;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,3-benzodioxole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzo-1,3-dioxole, AldrichCPR

Chemical Property of 2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Chemical Property:

• Vapor Pressure: 0.00021mmHg at 25°C
• Melting Point: 47掳C
• Refractive Index: 1.523
• Boiling Point: 337.1°Cat760mmHg
• Flash Point: 157.7°C
• PSA: 36.92000
• Density: 1.15g/cm³
• LogP: 1.71450
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 248.1219892
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo-1,3-dioxole ^*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)C2=CC3=C(C=C2)OCO3

Technology Process of 2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

There total 4 articles about 2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-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: 44.0%

benzo[d][1,3]dioxol-5-yl tert-butyl carbonate + bis(pinacol)diborane (73183-34-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole (94838-82-1) + Methylenedioxybenzene (274-09-9)

Guidance literature:

With cesium fluoride; 2-mercaptopyridine sodium salt; In acetonitrile; at 30 - 35 ℃; for 36h; Irradiation; Inert atmosphere;

DOI:10.1016/j.chempr.2021.04.016

Reference yield: 25.0%

Methylenedioxybenzene (274-09-9) + bis(pinacol)diborane (73183-34-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole (94838-82-1) + 2-(benzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1073339-10-2)

Guidance literature:

With (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 2,2'-bis(2-oxazoline); In cyclohexane; at 70 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c0cc02041a

Reference yield:

Sesamol (533-31-3) → 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxole (94838-82-1) + Methylenedioxybenzene (274-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; dmap / dichloromethane / 0.25 h

1.2: 2 h

2.1: cesium fluoride; 2-mercaptopyridine sodium salt / acetonitrile / 36 h / 30 - 35 °C / Irradiation; Inert atmosphere

With dmap; triethylamine; cesium fluoride; 2-mercaptopyridine sodium salt; In dichloromethane; acetonitrile;

DOI:10.1016/j.chempr.2021.04.016

upstream raw materials:

Methylenedioxybenzene

bis(pinacol)diborane

1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)butan-1-one

Sesamol

Downstream raw materials:

piperonylonitrile

3-(benzo[d][1,3]dioxol-5-yl)-7-(benzyloxy)-6-methoxy-4H-chromen-4-one

5-(fluoromethyl)benzo[d][1,3]dioxole

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