3-Isopropoxycarbonylphenylboronic acid

Inquiry

Molecular Formula:

C9H19BO3

Molecular Weight:

186.06

CAS Number:

61676-62-8

Catalog Number:

61676-62-8

Product Information

Molecular Formula:

C9H19BO3

Molecular Weight:

186.06

Description

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane can be used in the synthesis of following intermediates for generating conjugated copolymers:• 9,9-dioctyl-2,7-bis(4,4,5,5-tetramethyl1,3,2-dioxaborolane-2-yl)dibenzosilole• 3,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,11-di(1-decylundecyl)indolo[3,2-b]carbazole• 2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluorene• 2,7-bis(4',4',5',5'-tetramethyl-1',3',2'-dioxaborolan-2'-yl)-N-9''-heptadecanylcarbazole

Synonyms

AKOS BRN-0268; 2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; ISOPROPOXYBORONIC ACID, PINACOL ESTER; 2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-&; Isopropylpinacolylborate; 2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-DIOABOROLANE; 2-Isopropoxyboronic acid, pinac

IUPAC Name

4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)OC(C)C

InChI

InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3

InChI Key

MRWWWZLJWNIEEJ-UHFFFAOYSA-N

Boiling Point

73°C (15 mmHg)

Flash Point

109.4 °F - closed cup

Purity

97%

Density

0.912

Appearance

Colorless crystals.

Storage

0-6°C

Refractive Index

n20/D 1.409 (lit.)

Safety Information

Hazards

H226 - H315 - H319 - H335

Precautionary Statement

P210 - P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

186.1427246 g/mol

Monoisotopic Mass

186.1427246 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

173

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
CN-113234096-A	Red light thermal activation delayed fluorescence material and preparation method thereof	2021-05-13
CN-112794860-A	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	2021-03-24
CN-112794860-B	Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application	2021-03-24
CN-112939813-A	9-aryl-10-aryloxy anthracene derivative, preparation method thereof and application thereof as luminescent material	2021-02-22
WO-2022056051-A1	Plasma kallikrein inhibitors	2020-09-10
WO-2022043486-A1	Imidazole-pyrazole derivatives as antibacterials	2020-08-31
WO-2022042630-A1	Heteroaryl compounds, preparation methods and uses thereof	2020-08-26
WO-2022035585-A1	Cyclic containing polymer compositions obtained using transition metal bis(phenolate) catalyst complexes and process for production thereof	2020-08-13
US-2022048016-A1	Supported Catalyst Systems and Processes for Use Thereof	2020-08-11
WO-2022032284-A1	Macrocyclic compounds	2020-08-07

Literatures

PMID	Publication Date	Title	Journal
22090966	2011-08-01	9-Phenyl-3,6-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole	Acta crystallographica. Section E, Structure reports online
21279539	2011-07-01	Comparative study of alternating low-band-gap benzothiadiazole co-oligomers	Journal of fluorescence
21222147	2011-05-01	Molecular recognition of the antiretroviral drug abacavir: towards the development of a novel carbazole-based fluorosensor	Journal of fluorescence

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)