3-Formyl-2-thienylboronic acid
Product Information
Molecular Formula
C5H5BO3S
Molecular Weight
155.97
Description
Reactant for: Suzuki-Miyaura cross-coupling reactions.
Synonyms
(3-formylthiophen-2-yl)boronic acid
IUPAC Name
(3-formylthiophen-2-yl)boronic acid
SMILES
B(C1=C(C=CS1)C=O)(O)O
InChI
InChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
InChI Key
HYXMHAHVUFTVFZ-UHFFFAOYSA-N
Boiling Point
381.2 °C at 760 mmHg
Melting Point
330 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
96 %
Density
1.41 g/cm3
Appearance
White to tan powder
LogP
-0.75960
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
156.0052454 g/mol
Monoisotopic Mass
156.0052454 g/mol
Topological Polar Surface Area
85.8Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
130
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-113429381-A | Bithiophene rotor derivative 3 '-acetyl- [2,2' -bithiophene ] -3-formaldehyde, preparation method and application | 2021-06-30 |
| EP-3385270-A1 | Method for producing aromatic compound, and palladium complex | 2015-12-02 |
| JP-WO2017094655-A1 | Method for producing aromatic compound and palladium complex | 2015-12-02 |
| US-2018369799-A1 | Process for producing aromatic compound, and palladium complex | 2015-12-02 |
| WO-2017094655-A1 | Method for producing aromatic compound, and palladium complex | 2015-12-02 |
| JP-6791166-B2 | Method for producing aromatic compounds and palladium complex | 2015-12-02 |
| CN-108368142-B | Method for producing aromatic compound and palladium complex | 2015-12-02 |
| US-11045796-B2 | Process for producing aromatic compound, and palladium complex | 2015-12-02 |
| AU-2015367977-A1 | Biaryl derivative as GPR120 agonist | 2014-12-24 |
| AU-2015367977-B2 | Biaryl derivative as GPR120 agonist | 2014-12-24 |
