Dibenzo[b,d]furan-3-ylboronic acid

Basic Information

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CAS Number

395087-89-5

Molecular Formula

C12H9BO3

Molecular Weight

212.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Solubility

Insuluble (3.6E-4 g/L) (25 ºC),

SMILES

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B(C1=CC2=C(C=C1)C3=CC=CC=C3O2)(O)O

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

LogP

1.2658

Topological Polar Surface Area

53.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

259

Synonyms & References

English

Boronic acid, 3-dibenzofuranyl-
B-3-dibenzofuranylBoronic acid
Dibenzo[b,d]furan-3-ylboronic acid
dibenzofuran-3-boronic acid
Dibenzofuran-3-ylboronic acid
Boronic acid, B-3-dibenzofuranyl-
OL10203
Dibenzo[b,d]furan-3-boronicacid
DA-20827
3-DBFBA;Dibenzo[b,d]furan-3-ylboronic acid
AKOS028110372
8-OXATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAEN-5-YLBORONIC ACID
A902999
395087-89-5
CS-0095318
SCHEMBL2128544
MFCD26516274
F16809
CS-16328
Dibenzo[b,d]furan-3-ylboronicacid
Dibenzo[B,D]furan-3-yl boronic acid

MDL Number

MFCD26516274

FAQ

What are the physical and chemical properties of Dibenzo[b,d]furan-3-ylboronic acid (CAS: 395087-89-5)?

Dibenzo[b,d]furan-3-ylboronic acid is a solid with a crystalline form. It has a molecular weight of approximately 264.3 g/mol and a melting point of around 250°C. This compound is slightly soluble in common organic solvents like DMSO and ethanol. Chemically, it is reactive towards nucleophiles, making it useful in various synthetic transformations.

How is dibenzo[b,d]furan-3-ylboronic acid (CAS: 395087-89-5) typically synthesized?

Dibenzo[b,d]furan-3-ylboronic acid can be synthesized via a multistep process involving the preparation of dibenzo[b,d]furan and subsequent protection with a boronic acid derivative. Commonly, this involves a combination of Suzuki coupling reactions and esterification steps, often using catalysis with palladium and base conditions. The reaction typically yields a high purity product with good selectivity and yield.

What industries use dibenzo[b,d]furan-3-ylboronic acid (CAS: 395087-89-5)?

Dibenzo[b,d]furan-3-ylboronic acid finds applications in various industries, particularly in pharmaceuticals and materials science. It is used as a key intermediate in the synthesis of drug candidates and in the development of advanced materials such as polymers and sensors. Additionally, it plays a role in the production of semiconductors due to its unique electronic properties.

What precautions should be taken when handling dibenzo[b,d]furan-3-ylboronic acid (CAS: 395087-89-5)?

When handling dibenzo[b,d]furan-3-ylboronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted under a fume hood due to its reactivity. Spills should be handled carefully, using appropriate absorbents, and the area should be ventilated to prevent inhalation. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.