[3-(2-Hydroxyethyl)phenyl]boronic acid

Basic Information

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CAS Number

647853-32-5

Molecular Formula

C8H11BO3

Molecular Weight

165.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

376°C at 760 mmHg

SMILES

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B(C1=CC(=CC=C1)CCO)(O)O

InChI

InChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2

InChIKey

GCSYFWQBJAJDGY-UHFFFAOYSA-N

LogP

-1.0988000000000002

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

130

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(3-(2-Hydroxyethyl)phenyl)boronic acid
(3-(2-Hydroxyethyl)phenyl)boronicacid
F30067
AKOS006220914
XAB85332
CS-0139539
A867829
SCHEMBL578581
3-(2-HYDROXYETHYL)PHENYLBORONIc acid
MFCD03095123
Boronicacid,b-[3-(2-hydroxyethyl)phenyl]-
Boronic acid, [3-(2-hydroxyethyl)phenyl]-
(4R)-(+)-4,5-Dihydro-2-[2'-(diphenylphosphino)phenyl]-4-isopropyloxazole
GCSYFWQBJAJDGY-UHFFFAOYSA-N
DS-17181
DTXSID30610676
[3-(2-hydroxyethyl)phenyl]boronic acid
647853-32-5
SY105157
3-(2-Hydroxyethyl)benzeneboronic acid
FT-0688856
3-(2-Hydroxyethyl)phenylboronic acid
Boronicacid, B-[3-(2-hydroxyethyl)phenyl]-
OR2100
ST24034249
X4667

MDL Number

MFCD03095123

FAQ

What are the physical and chemical properties of [3-(2-Hydroxyethyl)phenyl]boronic acid (CAS: 647853-32-5)?

[3-(2-Hydroxyethyl)phenyl]boronic acid is a crystalline solid with a molecular weight of approximately 230.23 g/mol. It has a solubility of about 2.5 g/L in water. Chemically, it is a boronic acid derivative with a phenolic hydroxyl group that makes it reactive towards various electrophiles, particularly in organocatalytic reactions. Its reactivity and solubility make it useful in organic synthesis and biochemistry.

How is [3-(2-Hydroxyethyl)phenyl]boronic acid (CAS: 647853-32-5) typically synthesized?

[3-(2-Hydroxyethyl)phenyl]boronic acid is commonly synthesized via the Suzuki coupling reaction. The synthesis involves the reaction of phenyllithium with 2-hydroxyethyl boronic acid to form the boronic ester, which is then coupled with a halide or tosylate under palladium catalysis. This method provides good yields and high selectivity, making it a versatile route for this compound.

What industries use [3-(2-Hydroxyethyl)phenyl]boronic acid (CAS: 647853-32-5)?

[3-(2-Hydroxyethyl)phenyl]boronic acid is primarily used in the pharmaceutical and polymer industries. It is employed as a boronic acid derivative in organic synthesis for the formation of biologically active molecules. Additionally, its use in the preparation of functional polymers and as a ligand in sensing applications is also reported.

What precautions should be taken when handling [3-(2-Hydroxyethyl)phenyl]boronic acid (CAS: 647853-32-5)?

When handling [3-(2-Hydroxyethyl)phenyl]boronic acid, it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, handle it in a fume hood using absorbent material, and consult the Safety Data Sheet (SDS) for specific instructions on disposal and cleanup.