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
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 |
