2,4,6-Tris(4-fluorophenyl)boroxin

Base Information

• Chemical Name: 2,4,6-Tris(4-fluorophenyl)boroxin
• CAS No.: 448-59-9
• Molecular Formula: C18H12 B3 F3 O3
• Molecular Weight: 365.72
• Hs Code.: 2934999090
• European Community (EC) Number: 671-250-1
• DSSTox Substance ID: DTXSID60377689
• Nikkaji Number: J1.630.626F
• Wikidata: Q82167002
• Mol file: 448-59-9.mol

Synonyms:2,4,6-Tris(4-fluorophenyl)boroxin;448-59-9;2,4,6-tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane;Tris(4-fluorophenyl)boroxine;2,4,6-tris(4-fluorophenyl)boroxine;MFCD02093496;tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane;4-Fluorophenylboronic Anhydride;SCHEMBL3734871;DTXSID60377689;AHYNJLHYJZXUSD-UHFFFAOYSA-N;C18H12B3F3O3;Tris(4-fluorophenyl)cyclotriboroxane;AKOS015853542;AB10791;AS-70131;SY050540;CS-0175156;T1814;D78424;A826685;2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane

Chemical Property of 2,4,6-Tris(4-fluorophenyl)boroxin

Chemical Property:

• Vapor Pressure: 4.31E-05mmHg at 25°C
• Melting Point: 261-263 °C
• Refractive Index: 1.535
• Boiling Point: 361.4°C at 760 mmHg
• Flash Point: 172.4°C
• PSA: 27.69000
• Density: 1.26g/cm³
• LogP: 1.65330
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 366.1017692
• Heavy Atom Count: 27
• Complexity: 389

Purity/Quality:

98% ^*data from raw suppliers

2,4,6-Tris(4-fluorophenyl)boroxin >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OB(OB(O1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Technology Process of 2,4,6-Tris(4-fluorophenyl)boroxin

There total 4 articles about 2,4,6-Tris(4-fluorophenyl)boroxin 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: 99.0%

4-fluoroboronic acid (1765-93-1) → tris(4-fluorophenyl)boroxine (448-59-9)

Guidance literature:

4-fluoroboronic acid; In chloroform; ethyl acetate; at 20 ℃; for 0.5h;

With magnesium sulfate; In chloroform; ethyl acetate; for 3h;

DOI:10.1021/cm5013679

Reference yield:

boric acid tributyl ester (688-74-4) + 4-flourophenylmagnesium bromide (352-13-6) → tris(4-fluorophenyl)boroxine (448-59-9)

Guidance literature:

byproducts: H2O; dehydration with benzene;;

DOI:10.1021/ja01324a012

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + 1-Bromo-4-fluorobenzene (460-00-4) → 4-fluoroboronic acid (1765-93-1) + tris(4-fluorophenyl)boroxine (448-59-9)

Guidance literature:

With magnesium; In not given;

DOI:10.1002/1521-3749(200213)628:13<2827::AID-ZAAC2827>3.0.CO;2-N

upstream raw materials:

4-fluoroboronic acid

boric acid tributyl ester

4-flourophenylmagnesium bromide

Trimethyl borate

Downstream raw materials:

(R)-2-(4-Fluoro-phenyl)-4-oxo-piperidine-1-carboxylic acid benzyl ester

N-[(R)-(4-fluorophenyl)(phenyl)methyl]-N'-[(S)-(4-fluorophenyl)(phenyl)methyl]sulfamide

N,N'-sulfonyl bis-[(S)-(4-fluorophenyl)(phenyl)methanamine]

4-chloro-α-(4-fluorophenyl)benzenemethanol

Refernces

• 1、 Wu, Chunlin,Qin, Xurong,Moeljadi, Adhitya Mangala Putra,Hirao, Hajime,Zhou, Jianrong Steve. "Copper-Catalyzed Asymmetric Arylation of N-Heteroaryl Aldimines: Elementary Step of a 1,4-Insertion". supporting information. p. 2705 - 2709. Retrieved 2019/02/06.
• 2、 Bomio, Claudio,Kabeshov, Mikhail A.,Lit, Arthur R.,Lau, Shing-Hing,Ehlert, Janna,Battilocchio, Claudio,Ley, Steven V.. "Unveiling the role of boroxines in metal-free carbon-carbon homologations using diazo compounds and boronic acids". . p. 6071 - 6075. Retrieved 2017/08/29.