(4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide
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
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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
558.14946 g/mol
Monoisotopic Mass
558.14946 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
667
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2014051661-A1 | Novel lipogenic inhibitors and uses thereof | 2011-02-16 |
