1,3,5-Benzenetriboronic Acid Tris(pinacol) Ester
Product Information
Molecular Formula
C24H39O6B3
Molecular Weight
456.00
Description
1,3,5-Phenyltriboronic acid, tris(pinacol) ester can undergo Suzuki-Miyaura cross-coupling polycondensation reaction with 4,7-dibromobenzo[c][1,2,5]thiadiazole to afford conjugated polybenzothiadiazoles. It may also be used as a crosslinker for synthesizing conjugated microporous polymer (CMP) nanoparticles. This product was previously listed as BML00299.
Synonyms
2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)B3OC(C(O3)(C)C)(C)C)B4OC(C(O4)(C)C)(C)C
InChI
InChI=1S/C24H39B3O6/c1-19(2)20(3,4)29-25(28-19)16-13-17(26-30-21(5,6)22(7,8)31-26)15-18(14-16)27-32-23(9,10)24(11,12)33-27/h13-15H,1-12H3
InChI Key
VKOLBYNBPONPAE-UHFFFAOYSA-N
Melting Point
286-287 °C
Flash Point
Not applicable
Purity
≥ 97 %
LogP
2.58420
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
456.3025795 g/mol
Monoisotopic Mass
456.3025795 g/mol
Topological Polar Surface Area
55.4Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
605
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 |
|---|---|---|
| KR-20210151313-A | Compound for organic electronic element having benzocyclobutene functional group for cross-linked bond, organic electronic element using the same, and an electronic device thereof | 2020-06-04 |
| US-2021277176-A1 | Formulation containing a highly branched polymer, highly branched polymer and electro-optical device containing this highly branched polymer | 2018-07-11 |
| WO-2019164383-A1 | Compound for organic electronic device, organic electronic device using same, and electronic apparatus thereof | 2018-02-26 |
| EP-3489275-A1 | Method for producing polymer compound | 2016-07-22 |
| JP-WO2018016414-A1 | Method for producing polymer compound | 2016-07-22 |
| US-2019185613-A1 | Production method of polymer compound | 2016-07-22 |
| WO-2018016414-A1 | Method for producing polymer compound | 2016-07-22 |
| US-10717809-B2 | Production method of polymer compound | 2016-07-22 |
| CN-109476828-B | Method for producing polymer compound | 2016-07-22 |
| KR-102266665-B1 | Method for producing high molecular weight compounds | 2016-07-22 |
