Phenylacetic acid-4-boronic acid pinacol ester

Product Information

Molecular Formula:
C14H19BO4
Description
Phenylacetic acid-4-boronic acid pinacol ester is a biochemical compound indispensable for pharmaceutical drug advancements and exhibits its exceptional prowess as an organic synthesis cornerstone. Within its multifaceted ambit, this compound excels in forming boronic esters and paving the way for productive Suzuki coupling reactions. Its therapeutic potential knows no bounds, encompassing the treatment of afflictions like cancer, diabetes, and even profound neurological disorders.
Synonyms
4-(Carboxymethyl)phenylboronic acidpinacol ester
IUPAC Name
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChI Key
FNLWHBHWDXCWHV-UHFFFAOYSA-N
Boiling Point
398.2°C at 760 mmHg
Melting Point
165-170 °C
Flash Point
Not applicable
Purity
96%
Density
1.13 g/cm3

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
262.1376392 g/mol
Monoisotopic Mass
262.1376392 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
329
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
WO-2021243421-A1 Dual kinase-bromodomain inhibitors 2020-06-05
WO-2021127586-A1 Protein tyrosine phosphatase degraders and methods of use thereof 2019-12-20
TW-202136250-A Protein tyrosine phosphatase degraders and methods of use thereof 2019-12-20
WO-2021081207-A1 Glp-1r modulating compounds 2019-10-25
US-2021171499-A1 Glp-1r modulating compounds 2019-10-25
TW-202130630-A Glp-1r modulating compounds 2019-10-25
WO-2021057877-A1 Substituted aromatic fused ring derivative and composition comprising same, and use thereof 2019-09-26
WO-2020168963-A1 Substituted fused aromatic ring derivative, composition and use thereof 2019-02-18
EP-3904355-A1 Substituted fused aromatic ring derivative, composition and use thereof 2019-02-18
CN-108794656-B Broad-spectrum active oxygen cluster scavenging material and preparation method and application thereof 2018-05-11
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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