1-Methylpyrrole-2-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C11H18NO2B
Molecular Weight:
207.08
Description
Reactant for: Cu assisted Suzuki-Miyaura coupling reactions.
Synonyms
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole; 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
IUPAC Name
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C
InChI
InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
InChI Key
OEQQEXKRORJZPR-UHFFFAOYSA-N
Boiling Point
296.9 °C at 760 mmHg
Melting Point
44-49 °C
Flash Point
180.0 °F
Density
0.99 g/cm3
Appearance
Solid
Storage
−20 °C
LogP
1.32430

Safety Information

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
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
207.1430590 g/mol
Monoisotopic Mass
207.1430590 g/mol
Topological Polar Surface Area
23.4Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
239
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-113735757-A Microenvironment sensitive fluorescent organic small molecule compound and synthetic method and application thereof 2021-09-30
WO-2022035303-A1 Novel dioxoloisoquinolinone derivatives and use thereof 2020-08-13
CN-113149968-A Compound serving as ketohexokinase inhibitor and application thereof 2020-04-30
WO-2021126693-A1 Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof 2019-12-18
WO-2020225569-A1 Phenyl-sulfamoyl.benzoyc acids as erap1 modulators 2019-05-09
AU-2020269504-A1 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators 2019-05-09
EP-3966196-A1 Phenyl-sulfamoyl.benzoyc acids as erap1 modulators 2019-05-09
JP-2019506415-A Substituted 2- (heta) aryl-imidazolyl-carboxamides as pest control agents 2016-02-11
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides 2016-02-11
US-2019047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides 2016-02-11
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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