3-(Morpholinomethyl)phenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C17H26NO3B
Molecular Weight:
303.20
Description
3-(Morpholinomethyl)phenylboronic Acid Pinacol Ester (CAS# 364794-80-9) is a useful research chemical.
Synonyms
4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine; 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
IUPAC Name
4-[[3-(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(=CC=C2)CN3CCOCC3
InChI
InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-6-14(12-15)13-19-8-10-20-11-9-19/h5-7,12H,8-11,13H2,1-4H3
InChI Key
RCGRLLZELIIKDH-UHFFFAOYSA-N
Boiling Point
409.3 °C at 760 mmHg
Melting Point
52-56 °C
Flash Point
230.0 °F
Purity
95 %
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
366
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-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
EP-3529241-A1 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 2016-10-20
US-2019256518-A1 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 2016-10-20
WO-2018073602-A1 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 2016-10-20
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 2016-10-20
AU-2017346516-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 2016-10-20
WO-2014157382-A1 Sphingosine kinase inhibitor 2013-03-29
AU-2013274465-A1 Pyridinone and pyridazinone derivatives 2012-06-12
CA-2875016-A1 Pyridinone and pyridazinone derivatives 2012-06-12
EP-2858982-A1 Pyridinone and pyridazinone derivatives 2012-06-12
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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