4-Acetamidophenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C14H20NO3B
Molecular Weight
261.12
Description
4-Acetamidophenylboronic Acid Pinacol Ester (CAS# 214360-60-8) is a useful research chemical.
Synonyms
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide; N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
IUPAC Name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
InChI Key
ANGKVUVZQVUVJO-UHFFFAOYSA-N
Boiling Point
423.2 °C at 760 mmHg
Melting Point
160-164 °C (lit.)
Purity
97 %
Density
1.07 g/cm3
Appearance
Solid
LogP
2.01720
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
261.1536237 g/mol
Monoisotopic Mass
261.1536237 g/mol
Topological Polar Surface Area
47.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
333
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-2021219089-A1 | Sars-cov-2 inhibitors having covalent modifications for treating coronavirus infections | 2020-04-30 |
| WO-2020248864-A1 | Passivator, passivation method therefor and method for preparing semiconductor film | 2019-06-12 |
| US-2020206216-A1 | Inhibitors of fibroblast activation protein | 2018-12-21 |
| CN-113811529-A | Fibroblast activation protein inhibitor | 2018-12-21 |
| US-2020078364-A1 | Combination therapy with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety | 2018-09-11 |
| BR-112021004371-A2 | therapy in combination with a phosphoinositide 3-kinase inhibitor with a zinc binding moiety | 2018-09-11 |
| CN-113164466-A | Combination therapy using phosphoinositide 3-kinase inhibitors having zinc binding moieties | 2018-09-11 |
| IL-281303-D0 | Combination therapy with 3-kinase phosphonocyte inhibitors with half zinc linker | 2018-09-11 |
| KR-20210087438-A | Combination therapy with phosphoinositide 3-kinase inhibitors with zinc binding moieties | 2018-09-11 |
| JP-2022500374-A | Combination therapy with phosphoinositide 3-kinase inhibitors with zinc binding moieties | 2018-09-11 |
