2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Basic Information

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CAS Number

819058-34-9

Molecular Formula

C12H17BFNO2

Molecular Weight

237.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

334 ºC

Density

1.11

Flash Point

156 ºC

SMILES

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CC1(C)OB(OC1(C)C)c2ccc(N)c(F)c2

InChI

InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7H,15H2,1-4H3

InChIKey

AIXGNRNTXUKZLC-UHFFFAOYSA-N

LogP

1.7070999999999998

Topological Polar Surface Area

44.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Safety Information

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Sensitiveness

Air Sensitive

Synonyms & References

English

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
4-Amino-3-fluorobenzeneboronic acid pinacol ester
4-Amino-3-fluorophenylboronic acid pinacol ester
Benzenamine,2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenylamine
2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
4-Amino-3-Fluorophenylboronic Acid, Pinacol Ester
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

MDL Number

MFCD09033884

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9)?

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9) is a white crystalline solid. It has a molecular weight of approximately 308.12 g/mol and is slightly soluble in water. It is reactive towards strong acids and bases. The compound is stable under normal storage conditions but should be kept away from moisture and heat.

How is 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9) typically synthesized?

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9) can be synthesized via a boronate esterification reaction. A typical method involves the condensation of 2-fluoroaniline with 1,3,2-dioxaborole in the presence of a palladium catalyst and a base. The reaction typically yields a high purity product with good selectivity and yield.

What industries use 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9)?

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds and intermediates. It is also used in the development of new materials, including polymers and sensors.

What precautions should be taken when handling 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9)?

When handling 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 819058-34-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling procedures.