(3,4-Dimethoxyphenyl)boronic acid

Basic Information

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CAS Number

122775-35-3

Molecular Formula

C8H11BO4

Molecular Weight

181.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

245-250 °C

Boiling Point

336.7 °C at 760 mmHg

Density

1.1900

Water Solubility

25 g/L

Flash Point

157.4℃

Refractive Index

1.517

SMILES

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COc1ccc(cc1OC)B(O)O

InChI

InChI=1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3

InChIKey

RCVDPBFUMYUKPB-UHFFFAOYSA-N

LogP

-0.6164000000000002

Topological Polar Surface Area

58.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

153

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,4-Dimethoxyphenylboronic acid
BORONICACID, (3,4-DIMETHOXYPHENYL)- (9CI)
3,4-Dimethoxyphenylboronic Acid (contains varying amounts of Anhydride)
(3,4-dimethoxyphenyl)boronic acid(SALTDATA: FREE)
4-DiMethoxyphenylboronic acid
3,4-Dimethoxybenzeneboronic acid
(3,4-dimethoxyphenyl)boronic acid
3,4-Dimethoxyphenylboronic ac
3,4-Dimethoxyphenylboronic acid (contain Anhydride)
3,4-Dimethoxybenzeneboronic Acid (contains varying amounts of Anhydride)
AKOS BRN-0064
RARECHEM AH PB 0109
3,4-Dimethoxyphenylboronic
3,4-DIMETHOXYPHENYLBORONIC AICD
3,4-Dimethoxyphenylboronic acid,97%
3,4-Dimethoxyphenylboronic acid ,98%
3,4-Dimethoxyphenylboronic acid >=95.0%
Boronicacid, (3,4-dimethoxyphenyl)- (9CI)
3,4-DIMETHOXYPHENYLBORONIC ACID
3,4-DIMETHOXYBENZENEBORONIC ACID
3,4-Dimethoxyphenylboronic Acid

MDL Number

MFCD01074574

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3)?

(3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3) is a white crystalline solid with a molecular weight of approximately 244.23 g/mol. It is moderately soluble in water and ethanol but has low solubility in nonpolar solvents. This compound is known for its reactivity in boronate ester formation and its ability to participate in Suzuki coupling reactions. It exhibits good stability under normal conditions but should be stored away from direct sunlight and moisture.

How is (3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3) typically synthesized?

(3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3) can be synthesized using the Stille coupling reaction. Typically, 3,4-dimethoxyphenyl bromide is coupled with tetrakis(triphenylphosphine)palladium(0) and (trimethylsilyl)boron triflate in the presence of a base such as triethylamine. The reaction yields a high yield of the desired product with good regioselectivity and functional group compatibility.

What industries use (3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3)?

(3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3) is widely used in the pharmaceutical industry for the synthesis of drug intermediates and in the electronics industry for the production of semiconductors. It also finds applications in the polymer industry for the synthesis of functional polymers and in the sensor industry for the development of chemical sensors due to its reactivity in boronate ester formation.

What precautions should be taken when handling (3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3)?

When handling (3,4-Dimethoxyphenyl)boronic acid (CAS: 122775-35-3), it is important to use proper personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. In case of skin contact, wash with water and seek medical advice. For detailed safety information, refer to the Material Safety Data Sheet (MSDS).