ChemicalBook--->CAS DataBase List--->395087-89-5

395087-89-5

395087-89-5 Structure

395087-89-5 Structure
IdentificationBack Directory
[Name]

dibenzo[b,d]furan-3-ylboronic acid
[CAS]

395087-89-5
[Synonyms]

3-DBFBA
Dibenzofuran-3-boronic acid
Dibenzofuran-3-ylboronic acid
B-3-dibenzofuranylBoronic acid
(3-Dibenzofuranyl)boronic acid
Boronic acid, 3-dibenzofuranyl-
Dibenzo[b,d]furan-3-boronicacid
Boronic acid,B-3-dibenzofuranyl-
dibenzo[b,d]furan-3-ylboronic acid
[Molecular Formula]

C12H9BO3
[MDL Number]

MFCD26516274
[MOL File]

395087-89-5.mol
[Molecular Weight]

212.01
Chemical PropertiesBack Directory
[Boiling point ]

438.5±37.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

8.20±0.30(Predicted)
[InChI]

InChI=1S/C12H9BO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7,14-15H
[InChIKey]

FQENSZQWKVWYPA-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C2C3=CC=CC=C3OC2=C1)(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2931900090
Hazard InformationBack Directory
[Uses]

Dibenzo[b,d]furan-3-ylboronic acid can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical and pharmaceutical production processes.
[Synthesis]

In a 300 ml three-necked flask, 7.2 g of 4-bromodibenzofuran was dissolved in ?78° C. anhydrous tetrahydrofuran (THF) under an argon atmosphere. Then, 20 ml of an n-butyl lithium-n-hexane solution (1.6 M, 1.1 eq) was added and stirred for 1 hour. 4.23 ml (1.3 eq) of trimethoxyborane (B(OMe)3) was added and stirred for 2 hours, and the temperature of the reaction system was increased to room temperature. 200 ml of 1 N hydrochloric acid was added into the reactant and stirred for 3 hours. An organic layer was separated, and solvents were distilled off. In the crude product thus obtained, hexane was added. Precipitated product was filtered to obtain 4.94 g of dibenzofuran-4-boronic acid as a white solid (yield 80percent). The product was measured by FAB-MS, and dibenzofuran-4-boronic acid having a molecular weight of 212 was detected.
Spectrum DetailBack Directory
[Spectrum Detail]

dibenzo[b,d]furan-3-ylboronic acid(395087-89-5)1HNMR
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