5'-Hexyl-2,2'-bithiophene-5-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C20H29O2S2B
Molecular Weight:
376.38
Description
Reagent use for: Suzuki-Miyaura cross-coupling reactions and shape-shifting in contorted dibenzotetrathienocoronenes ; Oligothiophene self-assembly induction into fibers with tunable shape and function ; Stille coupling and p-conjugated packing structure and hole mobility of bithiophene-bithiazole copolymers with alkyl-thiophene side chains Reagent used in Preparation of; Solution-processed ambipolar field-effect transistor ; Light harvesting small molecules for use in solution-processed small molecule bulk heterojunction solar cell devices ; Light-emitting diode (OLED) materials ; Unsymmetric substituted benzothiadiazole-containing vinyl monomers for RAFT polymerization ; Pd-catalyzed condensations and synthesis of isoindigo-based oligothiophenes for molecuar bulk heterojunction solar cells ; Thiophene-benzothiadiazole based donor-acceptor-donor materials.
Synonyms
2-[5-(5-hexyl-2-thiophenyl)-2-thiophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=C(S3)CCCCCC
InChI
InChI=1S/C20H29BO2S2/c1-6-7-8-9-10-15-11-12-16(24-15)17-13-14-18(25-17)21-22-19(2,3)20(4,5)23-21/h11-14H,6-10H2,1-5H3
InChI Key
XTTRNSNHDCYSEL-UHFFFAOYSA-N
Boiling Point
472.5 °C at 760 mmHg
Melting Point
36-40 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.1 g/cm3
LogP
5.89860

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
7
Exact Mass
376.1702027 g/mol
Monoisotopic Mass
376.1702027 g/mol
Topological Polar Surface Area
74.9Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
427
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
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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