4-(Morpholine-4-carbonyl)phenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C17H24NO4B
Molecular Weight:
317.19
Description
4-(Morpholine-4-carbonyl)phenylboronic Acid Pinacol Ester (CAS# 656239-38-2) is a useful research chemical.
Synonyms
4-morpholinyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone; morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
IUPAC Name
morpholin-4-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
InChI Key
ZOPBEWUNCNLYSD-UHFFFAOYSA-N
Boiling Point
468.8 °C at 760 mmHg
Melting Point
187-193 °C
Flash Point
Not applicable
Purity
97 %
Density
1.14 g/cm3
LogP
1.39610

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
2
Exact Mass
317.1798384 g/mol
Monoisotopic Mass
317.1798384 g/mol
Topological Polar Surface Area
48Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
424
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-2022048684-A1 Jnk inhibitor, pharmaceutical composition thereof and use thereof 2020-09-07
WO-2020121261-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
WO-2020121263-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
US-2020223827-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
US-2020223844-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
AU-2019398820-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
AU-2019398910-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
BR-112021010341-A2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
CA-3120240-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
CA-3120667-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
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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