2-(4-Methyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Methyl-2-thienylboronic acid pinacol ester, 4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene

Product Information

Molecular Formula:
C11H17BO2S
Molecular Weight:
224.13
Description
2-(4-Methyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, also known as 4-Methyl-2-thienylboronic acid pinacol ester or 4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene, is a crucial pharmaceutical intermediate useful in the synthesis of various therapeutic drugs.
Synonyms
2-(4-Methyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Methyl-2-thienylboronic acid pinacol ester, 4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene; 4-Methylthiophene-2-boronic acid pinacol ester
IUPAC Name
4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C
InChI
InChI=1S/C11H17BO2S/c1-8-6-9(15-7-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3
InChI Key
FNRMPXJVCSMVMA-UHFFFAOYSA-N
Melting Point
26-31°C
Flash Point
>230 °F
Purity
96%

Safety Information

Hazards
H413

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-2020249792-A1 Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators 2019-06-14
US-2021017168-A1 Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators 2019-06-14
AU-2020290016-A1 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators 2019-06-14
CA-3142996-A1 Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators 2019-06-14
CN-113993868-A Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor 2019-06-14
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-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
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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