(4-Cyclopropyl-3-methoxyphenyl)boronic acid | CAS No. 1840935-61-6

(4-Cyclopropyl-3-methoxyphenyl)boronic acid

Basic Information

CAS Number

1840935-61-6

Molecular Formula

C10H13BO3

Molecular Weight

192.02 g/mol

AD

Basic Physical Properties

COc1cc(ccc1C1CC1)B(O)O

InChI

InChI=1S/C10H13BO3/c1-14-10-6-8(11(12)13)4-5-9(10)7-2-3-7/h4-7,12-13H,2-3H2,1H3

InChIKey

AVOKMNUATASWQT-UHFFFAOYSA-N

LogP

0.2524

Topological Polar Surface Area

49.69 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

194

Synonyms & References

English

  • 4-Cyclopropyl-3-mehtoxyphenylboronic acid

MDL Number

MFCD21099609

FAQ

What are the physical and chemical properties of (4-Cyclopropyl-3-methoxyphenyl)boronic acid (CAS: 1840935-61-6)?

(4-Cyclopropyl-3-methoxyphenyl)boronic acid has a crystalline form, with a molecular weight of approximately 221.27 g/mol and a melting point around 160-162°C. It is slightly soluble in water but more soluble in organic solvents such as methanol and ethanol. This compound exhibits moderate reactivity towards nucleophiles and can be used in various chemical reactions, particularly in organoboron chemistry.

How is (4-Cyclopropyl-3-methoxyphenyl)boronic acid (CAS: 1840935-61-6) typically synthesized?

(4-Cyclopropyl-3-methoxyphenyl)boronic acid can be synthesized via a boronization reaction of 4-cyclopropyl-3-methoxybenzene with pinacol boronic ester in the presence of a catalyst such as Pd(dppf)Cl2. The yield is typically around 70-80%, and the reaction is performed under mild conditions, often at room temperature or slightly elevated temperatures.

What industries use (4-Cyclopropyl-3-methoxyphenyl)boronic acid (CAS: 1840935-61-6)?

(4-Cyclopropyl-3-methoxyphenyl)boronic acid is primarily used in the pharmaceutical and polymer industries. It plays a significant role in medicinal chemistry for the synthesis of bioactive compounds and as a building block in polymer synthesis for developing functional materials with specific properties.

What precautions should be taken when handling (4-Cyclopropyl-3-methoxyphenyl)boronic acid (CAS: 1840935-61-6)?

When handling (4-Cyclopropyl-3-methoxyphenyl)boronic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Ensure the work is performed in a well-ventilated area or with a fume hood to avoid inhalation of dust. In case of spills, use appropriate spill cleanup procedures and consult the Safety Data Sheet (SDS) for specific instructions. If contact with skin or eyes occurs, rinse thoroughly with water and seek medical advice if necessary.

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