2-Methyl-4-(trifluoromethyl)phenylboronic acid

Basic Information

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CAS Number

957034-45-6

Molecular Formula

C8H8BF3O2

Molecular Weight

203.96 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

271.9℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C8H8BF3O2/c1-5-4-6(8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3

InChIKey

USEHFBIGOATLIA-UHFFFAOYSA-N

LogP

0.6936199999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

196

Synonyms & References

English

2-Methyl-4-(trifluoromethyl)phenylboronic acid
(2-methyl-4-(trifluoromethyl)phenyl)boronic acid
2-Methyl-4-trifluoromethylphenylboronic acid
Boronic acid, B-[2-methyl-4-(trifluoromethyl)phenyl]-
[2-methyl-4-(trifluoromethyl)phenyl]boronic acid
2-Methyl-4-trifluoromethylbenzeneboronic acid
2-Methyl-4-(trifluoromethyl)benzeneboronic acid
2-Methyl-4-(trifluoromethyl)phenylboronicacid
USEHFBIGOATLIA-UHFFFAOYSA-N
SBB071219
VB10342
B-[2-Methyl-4-(trifluoromethyl)phenyl]boronic acid (ACI)
[2-Methyl-4-(trifluoromethyl)phenyl]boronic acid
CS-0086797
MFCD08689550
957034-45-6
2-methyl-4-trifluoromethyl phenylboronic acid
F15501
PS-9471
DTXSID20659372
A845379
SCHEMBL581357
AKOS015842346
2-METHYL-4-TRIFLUOROMETHYLPHENYLBORONIC ACID
DB-010474
SY026531
EN300-822219
AB48274
J-509974
Z1269154154

MDL Number

MFCD08689550

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 2-Methyl-4-(trifluoromethyl)phenylboronic acid (CAS: 957034-45-6)?

2-Methyl-4-(trifluoromethyl)phenylboronic acid has a crystalline form with a molecular weight of approximately 231.11 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and dichloromethane. This compound is reactive towards various nucleophiles and can be used as a boronic acid in cross-coupling reactions.

How is 2-Methyl-4-(trifluoromethyl)phenylboronic acid (CAS: 957034-45-6) typically synthesized?

2-Methyl-4-(trifluoromethyl)phenylboronic acid is typically synthesized via a Suzuki-Miyaura coupling reaction. The synthesis involves the reaction of 2-methyl-4-(trifluoromethyl)phenylboronic pinacol ester with a boronate ester in the presence of a palladium catalyst, such as Pd(PPh3)4, and a base like sodium carbonate or potassium carbonate.

What industries use 2-Methyl-4-(trifluoromethyl)phenylboronic acid (CAS: 957034-45-6)?

2-Methyl-4-(trifluoromethyl)phenylboronic acid finds application in the pharmaceutical industry for drug synthesis, particularly in the development of novel drug candidates. It is also used in the synthesis of polymers and in the preparation of functional materials for sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-4-(trifluoromethyl)phenylboronic acid (CAS: 957034-45-6)?

When handling 2-Methyl-4-(trifluoromethyl)phenylboronic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately and handled according to the safety data sheet (SDS).