4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane

Base Information

• Chemical Name: 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane
• CAS No.: 832114-04-2
• Molecular Formula: C₁₃H₁₆BF₃O₃
• Molecular Weight: 288.074
• Hs Code.: 2934999090
• European Community (EC) Number: 675-058-9
• DSSTox Substance ID: DTXSID90375254
• Wikidata: Q82163780
• Mol file: 832114-04-2.mol

Synonyms:832114-04-2;4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(2-trifluoromethoxyphenyl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane;2-(Trifluoromethoxy)phenylboronic acid pinacol ester;2-trifluoromethoxyphenylboronic acid, pinacol ester;2-(trifluoromethoxy)phenylboronic acid, pinacol ester;2-Trifluoromethoxyphenylboronic acid pinacol ester;DTXSID90375254;MJVAGGBGGPTBIJ-UHFFFAOYSA-N;MFCD05863918;AKOS015960081;AB22725;AS-72738;CS-0081143;FT-0644887;D74292;EN300-1074125;A840530;Z1336745086;2-(Trifluoromethoxy)phenylboronic acid pinacol ester, AldrichCPR;4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)-phenyl)-1,3,2-dioxaborolane

Chemical Property of 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane

Chemical Property:

• Vapor Pressure: 0.00205mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 300°C at 760 mmHg
• Flash Point: 135.2°C
• PSA: 27.69000
• Density: 1.18g/cm³
• LogP: 2.88440
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 288.1144590
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

97% ^*data from raw suppliers

2-(Trifluoromethoxy)phenylboronic acid pinacol ester Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(F)(F)F

Technology Process of 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane

There total 2 articles about 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-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:

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) + 4-cyano-1- (trifluoromethoxy)pyridin-1-ium bis((trifluoromethyl)sulfonyl)amide → 4,4,5,5-Tetramethyl-2-(3-trifluoromethoxyphenyl)-[1,3,2]dioxaborolane + 4,4,5,5-tetramethyl-2-(4-(trifluoromethyloxy)phenyl)-1,3,2-dioxaborolane (474709-28-9) + 2-trifluoromethoxyphenylboronic acid pinacol ester (832114-04-2)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 1h; Overall yield = 50 %Spectr.; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201806296

Reference yield:

bis(trifluoromethyl)peroxide (927-84-4) + 2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) → 4,4,5,5-Tetramethyl-2-(3-trifluoromethoxyphenyl)-[1,3,2]dioxaborolane + 4,4,5,5-tetramethyl-2-(4-(trifluoromethyloxy)phenyl)-1,3,2-dioxaborolane (474709-28-9) + 2-trifluoromethoxyphenylboronic acid pinacol ester (832114-04-2)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 16h; Reagent/catalyst; Overall yield = 44 percentSpectr.; regioselective reaction; Inert atmosphere; Irradiation;

DOI:10.1002/chem.202101621

upstream raw materials:

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

bis(trifluoromethyl)peroxide

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