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1,4-Phenylenebisboronic acid

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Products Intro: Product Name:Benzene-1,4-diboronic acid
CAS:4612-26-4
Purity:0.98 Package:25g;27USD|100g;98USD|250g;191USD
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Products Intro: Product Name: 1,4-Phenylenebisboronic acid
CAS:4612-26-4
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Products Intro: Product Name:1,4-Benzenediboronic acid
CAS:4612-26-4
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Products Intro: Product Name:1,4-Phenylenebisboronic acid
CAS:4612-26-4
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Products Intro: Product Name:1,4-Phenylenebisboronic
CAS:4612-26-4
Purity:99% Package:25KG;5KG;1KG

1,4-Phenylenebisboronic acid manufacturers

1,4-Phenylenebisboronic acid Basic information
Product Name:1,4-Phenylenebisboronic acid
Synonyms:BENZENE-1,4-DIBORONIC ACID;1,4-BENZENEDIBORONIC ACID;1,4-PHENYLENEDIBORONIC ACID;1,4-PHENYLENEBIS(BORONIC ACID);4-(DIHYDROXYBORYL)PHENYLBORONIC ACID;AKOS BRN-0002;P-PHENYLENEDIBORONIC ACID;1,4-Phenyldiboronic acid
CAS:4612-26-4
MF:C6H8B2O4
MW:165.75
EINECS:628-888-0
Product Categories:B (Classes of Boron Compounds);blocks;BoronicAcids;Boronic acids;1
Mol File:4612-26-4.mol
1,4-Phenylenebisboronic acid Structure
1,4-Phenylenebisboronic acid Chemical Properties
Melting point >350 °C(lit.)
Boiling point 420.1±55.0 °C(Predicted)
density 1.33±0.1 g/cm3(Predicted)
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility soluble in Methanol
form liquid
pka8.30±0.17(Predicted)
color white to off-white
Water Solubility Soluble in water 2.5%.
BRN 2836921
InChIInChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H
InChIKeyBODYVHJTUHHINQ-UHFFFAOYSA-N
SMILESC1(B(O)O)=CC=C(B(O)O)C=C1
CAS DataBase Reference4612-26-4(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,C,Xi
Risk Statements 22-36/37/38-20/21/22
Safety Statements 36-26
WGK Germany 3
Hazard Note Corrosive
TSCA No
HazardClass IRRITANT
HS Code 29310095
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
1,4-Phenylenebisboronic acid Usage And Synthesis
Chemical Properties1,4-Phenylenebisboronic acid is off-white powder
Usessuzuki reaction
UsesReagent used for . Externally initiated Kumada catalyst-transfer polycondensation . Suzuki-Miyaura cross-coupling reactions . Energy transfer processes in optoelectronic devices . Palladium-catalyzed sequential alkenylation and conjugate addition reactions . Scholl cyclizations
UsesIt is used for palladium-catalyzed sequential alkenylation and conjugate addition reactions, scholl cyclizations, Suzuki-Miyaura cross-coupling reactions. It is also used in the preparation of indolizine derivatives as OLEDs, in organic thin-film transistors, Fluorescence and solution-processable coordination polymers.
Synthesis
Trimethyl borate

121-43-7

1,4-Dibromobenzene

106-37-6

1,4-Phenylenebisboronic acid

4612-26-4

Under the protection of nitrogen atmosphere, 200 mL of tetrahydrofuran (THF) was added to the reaction flask and cooled to 15°C. 0 g (0.62 mmol) of magnesium and 1.0 g (0.004 mol) of iodine were slowly added followed by the dropwise addition of 300 mL of THF solution containing 68.4 g (0.29 mol) of 1,4-dibromobenzene at a controlled titration rate maintaining the reaction temperature at 30°C. The reaction was continued for 3 hours. After completion, the reaction was continued for 3 hours. After completion of the reaction, the reaction mixture was cooled to -70°C and a mixed solution consisting of trimethyl borate (78.5 mL, 0.72 mol) and 300 mL of THF was slowly added dropwise. After the dropwise addition was completed, the reaction was continued at -70°C for 1 hour, then slowly warmed to room temperature and stirred for 12 hours. To the reaction mixture was added 950 mL of 2.5 M hydrochloric acid, stirred rapidly for 15 minutes and the solid product was collected by filtration. The solid was washed 3 times with 300 mL of hexane and finally dried under vacuum to give 40.7 g of white solid 1,4-phenylenediboronic acid in 84.6% yield.

References[1] Patent: CN103570530, 2016, B. Location in patent: Paragraph 0042; 0043
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