3-Isopropoxycarbonylphenylboronic acid
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
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
186.1427246 g/mol
Monoisotopic Mass
186.1427246 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
173
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-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 |
