2,3-Dihydro-1-benzofuran-7-ylboronic acid

Basic Information

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CAS Number

685514-61-8

Molecular Formula

C8H9BO3

Molecular Weight

163.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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B(C1=C2C(=CC=C1)CCO2)(O)O

InChI

InChI=1S/C8H9BO3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3,10-11H,4-5H2

InChIKey

JDOYUFYZFXCQJP-UHFFFAOYSA-N

LogP

-0.6987000000000003

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

162

Synonyms & References

English

AS-30669
CS-0030602
AB30111
EN300-212644
SCHEMBL1516587
JDOYUFYZFXCQJP-UHFFFAOYSA-N
(2,3-dihydro-1-benzofuran-7-yl)boronic acid
(2,3-Dihydrobenzofuran-7-yl)boronic acid
SY239803
Z1198170833
MFCD06801700
Boronic acid, (2,3-dihydro-7-benzofuranyl)-
2,3-DIHYDRO-1-BENZOFURAN-7-YLBORONIC ACID
2,3-Dihydrobenzofuran-7-boronic Acid
A867020
DTXSID70586048
2,3-Dihydro-1-benzofuran-7-boronic acid
FT-0744332
685514-61-8
AKOS004911276
(2,3-Dihydrobenzofuran-7-yl)boronicacid
BCP07166
2,3-DIHYDRO-1-BENZOFURAN -7-BORONIC ACID
2,3-dihydro-1-benzofuran-7-ylboronic acid
2,3-DIAMINOBENZOIC ACID METHYL ESTER
D2634M500
AB0028843

MDL Number

MFCD06801700

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2,3-Dihydro-1-benzofuran-7-ylboronic acid (CAS: 685514-61-8)?

2,3-Dihydro-1-benzofuran-7-ylboronic acid is a white crystalline solid with a molecular weight of approximately 243.12 g/mol. It has a low solubility in water (0.1 g/100 mL at 25°C) and is soluble in organic solvents like methanol and ethanol. The compound is known for its moderate reactivity in organic reactions, particularly in boronate ester formations with carboxylic acids. It is also stable under usual laboratory conditions but can undergo degradation under basic conditions.

How is 2,3-Dihydro-1-benzofuran-7-ylboronic acid (CAS: 685514-61-8) typically synthesized?

2,3-Dihydro-1-benzofuran-7-ylboronic acid is typically synthesized through the boronation of 2,3-dihydro-1-benzofuran-7-ylboronic ester using a catalytic system. Common methods include the use of tetrakis(triphenylphosphine)palladium(0) as a catalyst, with triphenylphosphine as a ligand. The reaction proceeds under basic conditions with the boronic acid being generated in situ from the boronic ester. The yield is generally high, around 80-90%, with good selectivity.

What industries use 2,3-Dihydro-1-benzofuran-7-ylboronic acid (CAS: 685514-61-8)?

2,3-Dihydro-1-benzofuran-7-ylboronic acid is utilized in the pharmaceutical industry for the synthesis of various drug precursors and intermediates. It is also used in the polymer industry for the development of novel polymer materials. Additionally, this compound has applications in the development of sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling 2,3-Dihydro-1-benzofuran-7-ylboronic acid (CAS: 685514-61-8)?

When handling 2,3-Dihydro-1-benzofuran-7-ylboronic acid (CAS: 685514-61-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up promptly using appropriate absorbent materials. For detailed safety information, consult the Material Safety Data Sheet (MSDS/SDS).