[4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid

Basic Information

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CAS Number

313545-40-3

Molecular Formula

C10H12BF3O3

Molecular Weight

248.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

333.6 °C at 760 mmHg

Density

1.27

Flash Point

155.5 °C

Refractive Index

1.465

SMILES

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B(C1=C(C=C(C=C1)OC(C)C)C(F)(F)F)(O)O

InChI

InChI=1S/C10H12BF3O3/c1-6(2)17-7-3-4-9(11(15)16)8(5-7)10(12,13)14/h3-6,15-16H,1-2H3

InChIKey

MQWMPOPSYRZCAI-UHFFFAOYSA-N

LogP

1.1723999999999999

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

245

Synonyms & References

English

[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]boronic acid
CS-0174830
AMY29174
SCHEMBL3140749
(4-Isopropoxy-2-(trifluoromethyl)phenyl)boronic acid
4-Isopropoxy-4-(Trifluoromethyl)PhenylboronicAcid
FT-0644402
2-trifluoromethyl-4-isopropoxyphenyl boronic acid
D71344
AB20942
MFCD04972373
(4-Isopropoxy-2-(trifluoromethyl)-phenyl)boronic acid
DTXSID70621625
AKOS015838543
4-Isopropoxy-2-(trifluoromethyl)benzeneboronic acid
313545-40-3
{4-[(Propan-2-yl)oxy]-2-(trifluoromethyl)phenyl}boronic acid
4-Isopropoxy-2-(trifluoromethyl)phenylboronic acid
BS-27968
4-Isopropoxy-2-trifluoromethylphenylboronic acid
4-Isopropoxy-2-(trifluoromethyl) phenylboronic acid
4-ISOPROPOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]-
[4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid

MDL Number

MFCD04972373

Customs Code

2931900090

FAQ

What are the physical and chemical properties of [4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-40-3)?

[4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid is a white crystalline solid with a molecular weight of approximately 327.12 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. The compound is known for its moderate reactivity in boronate ester formation and is often used as a building block in organic synthesis. Its physical properties include a melting point of 118-119°C.

How is [4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-40-3) typically synthesized?

[4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid is typically synthesized via a coupling reaction between 4-isopropoxy-2-(trifluoromethyl)phenol and boronic acid derivatives using a catalyst such as palladium(II) acetate in the presence of a phase-transfer catalyst and a base like triphenylphosphine. This method yields high selectivity and good to excellent yield depending on the reaction conditions.

What industries use [4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-40-3)?

[4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules, particularly in the field of medicinal chemistry. It is also utilized in the polymer industry for the development of new materials with specific properties. Additionally, it finds applications in the sensor technology and semiconductor manufacturing sectors due to its unique chemical functionality.

What precautions should be taken when handling [4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid (CAS: 313545-40-3)?

When handling [4-Isopropoxy-2-(trifluoromethyl)phenyl]boronic acid, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to air. Spills should be cleaned up promptly using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures. The compound should be stored in a cool, dry place away from direct sunlight and incompatible materials.