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
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 |
