[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid

Basic Information

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CAS Number

870777-20-1

Molecular Formula

C14H14BBrO3

Molecular Weight

320.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

130-135 °C

Boiling Point

490.5°C at 760 mmHg

Density

1.46

Flash Point

250.4°C

Refractive Index

1.619

SMILES

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CC1=CC(B(O)O)=C(OCC2=CC=CC=C2)C(Br)=C1

InChI

InChI=1S/C14H14BBrO3/c1-10-7-12(15(17)18)14(13(16)8-10)19-9-11-5-3-2-4-6-11/h2-8,17-18H,9H2,1H3

InChIKey

ZHTKJZVSGFSMJR-UHFFFAOYSA-N

LogP

2.01630

Synonyms & References

English

(2-(Benzyloxy)-3-bromo-5-methylphenyl)boronic acid
(3-bromo-5-methyl-2-phenylmethoxyphenyl)boronic acid
2-BENZYLOXY-3-BROMO-5-METHYLPHENYLBORON
2-Benzyloxy-3-bromo-5-methylphenylboronic acid
Boronic acid,B-[3-bromo-5-methyl-2-(phenylmethoxy)phenyl]-

MDL Number

MFCD06200723

Customs Code

2931900090

FAQ

What is [2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1)?

[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1) is an organoborane compound with a molecular formula C14H12BrO2B. It is characterized by its aromatic structure and contains a benzyloxy, bromine, methyl, and boronic acid functional groups. This compound is used in a variety of synthetic reactions and is an important intermediate in the synthesis of biologically active molecules.

What are the main uses of [2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1)?

[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1) is primarily used as a key intermediate in the synthesis of pharmaceuticals and organic compounds. Its role in organic synthesis, particularly in cross-coupling reactions, makes it a valuable tool in the development of new drugs and materials.

Is [2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1) safe?

[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1) is generally considered safe when handled with appropriate protective measures. However, it is important to avoid contact with skin and eyes, and to ensure good ventilation during use. Spills should be cleaned up immediately, and the compound should be stored in a cool, dry place, away from direct sunlight and heat sources.

How should [2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1) be stored?

[2-(Benzyloxy)-3-bromo-5-methylphenyl]boronic acid (CAS: 870777-20-1) should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It is important to protect the compound from direct sunlight and elevated temperatures. The storage temperature should be maintained between 15°C and 25°C, and the relative humidity should be kept below 60%. It is advisable to use a secondary containment system to prevent spillage and to store it away from incompatible materials.