(1-Chloro-4-isoquinolinyl)boronic acid

Basic Information

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CAS Number

848841-48-5

Molecular Formula

C9H7BClNO2

Molecular Weight

207.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Boiling Point

442.348°C at 760 mmHg

SMILES

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B(C1=CN=C(C2=CC=CC=C12)Cl)(O)O

InChI

InChI=1S/C9H7BClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5,13-14H

InChIKey

LIQWKDFYRGYBQH-UHFFFAOYSA-N

LogP

0.5679999999999998

Topological Polar Surface Area

53.35 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

205

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1-CHLORO-4-ISOQUINOLINYL BORONIC ACID
AKOS015950253
J-504529
FT-0741357
Boronic acid, (1-chloro-4-isoquinolinyl)-
MFCD09959721
A914978
1-Chloroisoquinoline-4-boronic acid
(1-Chloroisoquinolin-4-yl)boronic acid
1-Chloro-4-isoquinolinylboronicacid
EN300-4266727
1-Chloro-isoquinolin-4-ylboronic acid
848841-48-5
(1-Chloroisoquinolin-4-yl)boronicacid
DS-5581
DTXSID00679452
B-(1-chloro-4-isoquinolinyl)-Boronic acid
3094AC
(1-chloro-4-isoquinolyl)boronic acid
FCH1396664
(1-chloro-4-isoquinolinyl)boronic acid
AK119334
(1-chloranylisoquinolin-4-yl)boronic acid
AX8244750
FT

MDL Number

MFCD09959721

FAQ

What are the physical and chemical properties of (1-Chloro-4-isoquinolinyl)boronic acid (CAS: 848841-48-5)?

(1-Chloro-4-isoquinolinyl)boronic acid is a white crystalline solid with a molecular weight of approximately 273.07 g/mol. It is slightly soluble in water and ethanol. The compound is moderately reactive, particularly in its ability to form boronate esters. It is known for its high reactivity with phenols and its use in various synthetic applications.

How is (1-Chloro-4-isoquinolinyl)boronic acid (CAS: 848841-48-5) typically synthesized?

(1-Chloro-4-isoquinolinyl)boronic acid is typically synthesized via the reaction of 1-chloro-4-isoquinoline with boronic anilide under basic conditions. The process involves the use of sodium carbonate or potassium carbonate as a base and often requires mild heating. The yield is generally good, and the method is known for its high selectivity and reproducibility.

What industries use (1-Chloro-4-isoquinolinyl)boronic acid (CAS: 848841-48-5)?

(1-Chloro-4-isoquinolinyl)boronic acid finds applications in the pharmaceutical industry for the synthesis of drug intermediates, particularly those involved in chemotherapy. It is also used in the polymer industry for the modification of polymers and in the development of sensors due to its reactivity and functional group availability. Additionally, it has potential use in semiconductor applications for specific chemical modification processes.

What precautions should be taken when handling (1-Chloro-4-isoquinolinyl)boronic acid (CAS: 848841-48-5)?

When handling (1-Chloro-4-isoquinolinyl)boronic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of the compound. In case of spills, immediately clean up using appropriate absorbents and dispose of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.