1,3,5-Benzenetriboronic Acid Tris(pinacol) Ester

Inquiry

Molecular Formula:

C24H39O6B3

Molecular Weight:

456.00

CAS Number:

365564-05-2

Catalog Number:

365564-05-2

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

456.3025795 g/mol

Monoisotopic Mass

456.3025795 g/mol

Topological Polar Surface Area

55.4Å²

Heavy Atom Count

Formal Charge

Complexity

605

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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