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(4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide

(4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide

Inquiry

Molecular Formula:

C31H33BBrO2P

Molecular Weight:

559.28

CAS Number:

1169942-85-1

Catalog Number:

1169942-85-1

Product Information

Molecular Formula:

C31H33BBrO2P

Molecular Weight:

559.28

Description

(4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide is often used in biomedical research as a catalyst for cross-coupling reactions. It shows significant utility in the synthesis of bioactive molecules and drugs targeting various diseases such as cancers and bacterial infections.

Synonyms

(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)triphenylphosphonium bromide,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaboratophenyl)-methyl triphenylphosphonium bromide

IUPAC Name

bromo-triphenyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-λ5-phosphane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CP(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Br

InChI

InChI=1S/C31H33BBrO2P/c1-30(2)31(3,4)35-32(34-30)26-22-20-25(21-23-26)24-36(33,27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-23H,24H2,1-4H3

InChI Key

QFKBJKZUBNWCIZ-UHFFFAOYSA-N

Melting Point

265-270 °C

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

558.14946 g/mol

Monoisotopic Mass

558.14946 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

667

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2014051661-A1	Novel lipogenic inhibitors and uses thereof	2011-02-16

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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