[4-(Cyclopropylcarbamoyl)phenyl]boronic acid

Basic Information

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CAS Number

860173-33-7

Molecular Formula

C10H12BNO3

Molecular Weight

205.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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OB(c1ccc(cc1)C(=O)NC1CC1)O

InChI

InChI=1S/C10H12BNO3/c13-10(12-9-5-6-9)7-1-3-8(4-2-7)11(14)15/h1-4,9,14-15H,5-6H2,(H,12,13)

InChIKey

WCRPDYXXIVYAAJ-UHFFFAOYSA-N

LogP

-0.7414000000000003

Topological Polar Surface Area

69.56 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

235

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

4-(Cyclopropylcarbamoyl)phenylboronic Acid
(4-(Cyclopropylcarbamoyl)phenyl)boronic acid
[4-(Cyclopropylcarbamoyl)phenyl]boronic acid
[4-[(cyclopropylamino)carbonyl]phenyl]-boronic acid
7-Methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonitrile
4-(Cyclopropylaminocarbonyl)phenylboronic acid
4-Cyclopropylaminocarbonylphenylboronic acid
WCRPDYXXIVYAAJ-UHFFFAOYSA-N
STR09928
N-CYCLOPROPYL 4-BORONOBENZAMIDE
AB15
(4-(cyclopropylcarbamoyl)phenyl)boronic acid

MDL Number

MFCD03788419

FAQ

What are the physical and chemical properties of [4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7)?

[4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7) is a solid with a crystalline form. It has a molecular weight of approximately 240.27 g/mol. This compound is slightly soluble in water but has good solubility in organic solvents. It exhibits moderate reactivity, particularly in reactions involving boron-carbon bonds and amide groups.

How is [4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7) typically synthesized?

[4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7) can be synthesized through a multistep process involving the preparation of 4-(cyclopropylcarbamoyl)phenol and subsequent coupling with boronic acid derivatives. This synthesis typically requires organic solvents, mild base conditions, and appropriate catalysts to achieve good yield and selectivity.

What industries use [4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7)?

[4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7) is primarily used in pharmaceuticals for the synthesis of drug intermediates. It also finds applications in the polymer industry for the development of new materials and in sensors for detection of specific chemical species. Additionally, it is utilized in semiconductor manufacturing for etching processes.

What precautions should be taken when handling [4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7)?

When handling [4-(Cyclopropylcarbamoyl)phenyl]boronic acid (CAS: 860173-33-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.