(3-ethoxyMethyl)phenyl)boronic acid | CAS No. 1107603-49-5

(3-ethoxyMethyl)phenyl)boronic acid

Basic Information

CAS Number

1107603-49-5

Molecular Formula

C9H13BO3

Molecular Weight

180.01 g/mol

AD

Basic Physical Properties

CCOCc1cccc(c1)B(O)O

InChI

InChI=1S/C9H13BO3/c1-2-13-7-8-4-3-5-9(6-8)10(11)12/h3-6,11-12H,2,7H2,1H3

InChIKey

DBQGDLDTWVOSCS-UHFFFAOYSA-N

LogP

-0.09709999999999996

Topological Polar Surface Area

49.69 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

141

Synonyms & References

English

  • (3-(ethoxymethyl)phenyl)boronic acid
  • AM86306
  • Boronic acid, B-[3-(ethoxymethyl)phenyl]-

MDL Number

MFCD08701750

FAQ

What are the physical and chemical properties of (3-ethoxyMethyl)phenyl)boronic acid (CAS: 1107603-49-5)?

(3-ethoxyMethyl)phenyl)boronic acid is a white crystalline solid with a molecular weight of approximately 220.25 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound exhibits moderate reactivity in boron-containing reactions, particularly in coupling reactions with aromatic rings.

How is (3-ethoxyMethyl)phenyl)boronic acid (CAS: 1107603-49-5) typically synthesized?

(3-ethoxyMethyl)phenyl)boronic acid is usually synthesized through a Grignard reaction followed by a boronation step. The reaction involves the treatment of an ethoxy methyl derivative with a Grignard reagent, followed by the addition of a boronate ester under basic conditions to form the boronic acid. Commonly used catalysts include tetrabutylammonium borate.

What industries use (3-ethoxyMethyl)phenyl)boronic acid (CAS: 1107603-49-5)?

(3-ethoxyMethyl)phenyl)boronic acid is used in various industries, including pharmaceuticals for synthesizing complex organic molecules, and in materials science for the production of functional polymers and sensors. It also finds applications in semiconductors for creating specific boron-containing compounds.

What precautions should be taken when handling (3-ethoxyMethyl)phenyl)boronic acid (CAS: 1107603-49-5)?

When handling (3-ethoxyMethyl)phenyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The material should be stored in a cool, dry place, away from flammable materials. In case of spill, it should be contained and disposed of according to local hazardous waste regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.

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