2-Acetoxyphenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C14H19O4B
Molecular Weight
262.11
Description
2-Acetoxyphenylboronic Acid Pinacol Ester (CAS# 480424-68-8) is a useful research chemical.
Synonyms
acetic acid [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] ester; [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
IUPAC Name
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C14H19BO4/c1-10(16)17-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3
InChI Key
KFBOKXXUJHAZIH-UHFFFAOYSA-N
Boiling Point
358.9 °C at 760 mmHg
Melting Point
47-51 °C (lit.)
Flash Point
230.0 °F - closed cup
Density
1.08 g/cm3
LogP
1.91110
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
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
44.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
337
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-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
| EP-2376491-B1 | Pyrrolotriazines as alk and jak2 inhibitors | 2008-12-19 |
| US-2012028919-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 2008-12-19 |
| US-8471005-B2 | Pyrrolotriazines as ALK and JAK2 inhibitors | 2008-12-19 |
| JP-2009534458-A | Amino-ethyl-amino-aryl (AEAA) compounds and their use | 2006-04-26 |
