Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine

Basic Information

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CAS Number

952431-30-0

Molecular Formula

C36H34BNO2

Molecular Weight

523.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

680.9±55.0 °C at 760 mmHg

Density

1.17±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

365.6±31.5 °C

Vapor Pressure

0.0±2.1 mmHg at 25°C

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H34BNO2/c1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28/h5-26H,1-4H3

InChIKey

PESBFNLGEMHNAM-UHFFFAOYSA-N

LogP

8.789600000000002

Topological Polar Surface Area

21.700000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

725

Synonyms & References

English

N,N-Di(4-biphenylyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
4-[Di(4-biphenylyl)amino]phenylboronic Acid Pinacol Ester
2-[4-[Di(4-biphenylyl)amino]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PESBFNLGEMHNAM-UHFFFAOYSA-N
Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine
N-([1,1'-biphenyl]-4-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-[1,1'-biphenyl]-4-amine
D4886
bisbiphenyl-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine
bisbiphenyl-4-yl
双(联苯-4-基)[4-(4,4,5,5-四甲基-[1,3,2]二氧杂环戊硼烷-2-基)苯基]胺
N-[1,1′-Biphenyl]-4-yl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl][1,1′-biphenyl]-4-amine (ACI)
N,N-Di-(1,1′-biphenyl-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)bis([1,1′-biphenyl]-4-yl)amine
952431-30-0
XH1440
N-(biphenyl-4-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)biphenyl-4-amine
CNB43130
BS-51360
bisbiphenyl-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]amine
DB-130327
N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
MFCD29089353
CS-0176977
bis(biphenyl-4-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine
T71493
SCHEMBL2761473
N-{[1,1'-biphenyl]-4-yl}-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,1'-biphenyl]-4-amine

MDL Number

MFCD29089353

FAQ

What are the physical and chemical properties of Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0)?

Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0) exhibits a crystalline form at room temperature. Its molecular weight is approximately 695.43 g/mol. This compound is poorly soluble in water but has good solubility in organic solvents like dichloromethane and tetrahydrofuran. It is moderately reactive with electrophiles and shows no significant toxicity in standard tests.

How is Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0) typically synthesized?

Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0) is synthesized via a multistep process involving boronic acid coupling reactions. The synthesis typically requires catalysis with palladium acetate and a base such as triphenylphosphine. The yield is around 70-80%, and the reaction is performed under inert atmosphere to avoid oxidation.

What industries use Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0)?

Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for drug synthesis and as an additive in the development of advanced polymers for electronic applications, such as organic light-emitting diodes (OLEDs) and sensors.

What precautions should be taken when handling Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0)?

When handling Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine (CAS: 952431-30-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The substance should be handled in a well-ventilated fume hood to minimize exposure. In case of a spill, immediately clean up the area using absorbent materials and follow the safety data sheet (SDS) for disposal instructions. Storage should be in a cool, dry place away from direct sunlight and flammable materials.