4-(Morpholinomethyl)phenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C17H26NO3B
Molecular Weight:
303.20
Description
4-(Morpholinomethyl)phenylboronic Acid Pinacol Ester (CAS# 364794-79-6) is a useful research chemical.
Synonyms
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine; 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
IUPAC Name
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCOCC3
InChI
InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3
InChI Key
JOIXYIWXEYXHHG-UHFFFAOYSA-N
Boiling Point
400.8 °C at 760 mmHg
Melting Point
85-89 °C
Flash Point
Not applicable
Purity
97 %
Density
1.08 g/cm3
LogP
1.75590

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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
303.2005739 g/mol
Monoisotopic Mass
303.2005739 g/mol
Topological Polar Surface Area
30.9Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
358
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
CN-113735758-A Efficient dual-state luminescent fluorescent probe for dynamic lysosome imaging 2021-08-13
WO-2021133957-A1 Benzimidazole compounds as hdac6 inhibitors 2019-12-27
US-2022041584-A1 Benzimidazole compounds as hdac6 inhibitors 2019-12-27
WO-2021074281-A1 Substituted azacyles as trmp8 modulators 2019-10-17
WO-2020182666-A1 Small molecule modulators of il-17 2019-03-08
EP-3935051-A1 Small molecule modulators of il-17 2019-03-08
TW-202045512-A Novel heterotricyclic derivatives and use thereof 2019-02-19
IL-285604-D0 New and used heterocyclic derivative compound 2019-02-19
EP-3929199-A1 Novel heterotricyclic derivative compound and use of same 2019-02-19
US-2020199131-A1 Imidazopyridazine and imidazopyridine compounds and uses thereof 2018-12-20
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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