3-Methylthiophene-2-boronic acid pinacol ester

Product Information

Molecular Formula:
C11H17BO2S
Molecular Weight:
224.13
Description
3-Methylthiophene-2-boronic acid pinacol ester stands as a pivotal substrate amidst drug synthesis endeavors.
Synonyms
3-METHYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER; 4,4,5,5-Tetramethyl-2-(3-methyl-2-thienyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)C
InChI
InChI=1S/C11H17BO2S/c1-8-6-7-15-9(8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3
InChI Key
DGJCULPYCMEHFZ-UHFFFAOYSA-N
Boiling Point
305.3ºC at 760 mmHg
Melting Point
57-62ºC
Purity
95%
Density
1.06 g/cm3
Appearance
White to tan solid

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
224.1042311 g/mol
Monoisotopic Mass
224.1042311 g/mol
Topological Polar Surface Area
46.7Ų
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
WO-2021263194-A1 Inhibition of n-glycosylated grp94 2020-06-26
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 2019-06-12
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 2019-06-12
WO-2020248864-A1 Passivator, passivation method therefor and method for preparing semiconductor film 2019-06-12
WO-2020095912-A1 Benzimidazole derivative 2018-11-06
WO-2019110521-A1 Fluorophenyl substituted muscarinic receptor ligands with selectivity for m3 over m2 2017-12-04
EP-3720852-A1 Fluorophenyl substituted muscarinic receptor ligands with selectivity for m3 over m2 2017-12-04
US-2020308168-A1 Fluorophenyl substituted muscarinic receptor ligands with selectivity for m3 over m2 2017-12-04
JP-2021505569-A Fluorophenyl-substituted muscarinic receptor ligand that is more selective for M3 than M2 2017-12-04
US-10654834-B2 Non-systemic TGR5 agonists 2016-07-01
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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