Dimesitylboron fluoride

Base Information

• Chemical Name: Dimesitylboron fluoride
• CAS No.: 436-59-9
• Molecular Formula: C18H22BF
• Molecular Weight: 268.182
• Hs Code.: 29319090
• European Community (EC) Number: 628-702-8
• DSSTox Substance ID: DTXSID30392743
• Nikkaji Number: J1.400.809H
• Wikidata: Q82191129
• Mol file: 436-59-9.mol

Synonyms:Dimesitylboron fluoride;436-59-9;Dimesitylfluoroborane;fluorodimesitylborane;Fluoro-bis(2,4,6-trimethylphenyl)borane;fluorobis(2,4,6-trimethylphenyl)borane;Borane, fluorobis(2,4,6-trimethylphenyl)-;MFCD00012203;dimesityifluoroborane;dimesityl boron fluoride;Dimesitylboron fluoride, 90%;SCHEMBL357015;C18H22BF;DTXSID30392743;AKOS005255155;FS-4897;fluoro[bis(2,4,6-trimethylphenyl)]borane;Bis-(2,4,6-trimethyl-phenyl)-fluoroborane;CS-0181842;D3890;FT-0757347

Chemical Property of Dimesitylboron fluoride

Chemical Property:

• Vapor Pressure: 3.59E-05mmHg at 25°C
• Melting Point: 69-72 °C(lit.)
• Refractive Index: 1.518
• Boiling Point: 364.2 °C at 760 mmHg
• Flash Point: 174.1 °C
• PSA: 0.00000
• Density: 0.98 g/cm³
• LogP: 3.61220
• Solubility.: soluble in Acetone,Ether
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 268.1798590
• Heavy Atom Count: 20
• Complexity: 265

Purity/Quality:

98% ^*data from raw suppliers

Dimesitylboron fluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B(C1=C(C=C(C=C1C)C)C)(C2=C(C=C(C=C2C)C)C)F

Technology Process of Dimesitylboron fluoride

There total 7 articles about Dimesitylboron fluoride 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: 82.0%

trifluoroborane diethyl ether (109-63-7) + 2-mesitylmagnesium bromide (2633-66-1) → MgBrF + dimesitylfluoroborane (436-59-9)

Guidance literature:

In diethyl ether; addn. of MesMgBr in Et2O over a period of 1.5 h to BF3 in Et2O, refluxed for 3 h; removal of solvent in vac., sublimation (100°C, 1E-1 Torr);

DOI:10.1016/S0020-1693(00)83809-8

Reference yield: 81.0%

2,4,6-trimethylphenyl bromide (576-83-0) + boron trifluoride diethyl etherate (109-63-7) → dimesitylfluoroborane (436-59-9)

Guidance literature:

2,4,6-trimethylphenyl bromide; With magnesium; In tetrahydrofuran; ethylene dibromide; for 3h; Reflux;

boron trifluoride diethyl etherate; In tetrahydrofuran; ethylene dibromide; at -20 ℃; Reflux;

DOI:10.1002/chem.202101687

Reference yield: 78.0%

2,4,6-trimethylphenyl bromide (576-83-0) → dimesitylfluoroborane (436-59-9)

Guidance literature:

2,4,6-trimethylphenyl bromide; With magnesium; In tetrahydrofuran; for 2h; Inert atmosphere; Reflux;

With boron trifluoride diethyl etherate; at 0 ℃; for 2h; Reflux;

upstream raw materials:

2-mesitylmagnesium bromide

trifluoroborane diethyl ether

2,4,6-trimethylphenyl bromide

boron trifluoride diethyl etherate

Downstream raw materials:

(2,4,6-(CH₃)3C₆H₂)2BNH-1-C₁₀H₇

N-(dimesitylboryl)-N-phenylbenzenamine

(2,4,6-(CH₃)3C₆H₂)2BNH-2,6-(CH₃)2C₆H₃

{2,4,6-(CH₃)3C₆H₂}2B-N(CH₃)(C₆H₅)

Refernces

• 1、 Brandt, Rasmus G.,Sveegaard, Steffen G.,Xiao, Manjun,Yue, Wei,Du, Zhengkun,Qiu, Meng,Angmo, Dechan,Andersen, Thomas R.,Krebs, Frederik C.,Yang, Renqiang,Yu, Donghong. "Novel high band gap pendant-borylated carbazole polymers with deep HOMO levels through direct +NB- interaction for organic photovoltaics". . p. 4393 - 4401. Retrieved 2016.
• 2、 Anantharaman, Ganapathi,Avinash, Iruthayaraj,Parveen, Sabeeha. "Backbone Boron-Functionalized Imidazoles/Imidazolium Salts: Synthesis, Structure, Metalation Studies, and Fluoride Sensing Properties". . . Retrieved 2020/04/15.