4-Nitrophenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H16NO4B
Molecular Weight
249.07
Description
Reactant involved in: Synthesis of aryl azides ; Arylation of allylic chlorides; Syntehsis of RNA conjugates; Alkoxycarbonylation; Synthesis of mTOR and PI3K inhibitors as antitumor agents; Electrooxidative synthesis of biaryls.
Synonyms
4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)14(15)16/h5-8H,1-4H3
InChI Key
LUWACRUAJXZANC-UHFFFAOYSA-N
Boiling Point
357.5 °C at 760 mmHg
Melting Point
112-116 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.14 g/cm3
LogP
2.41720
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
249.1172382 g/mol
Monoisotopic Mass
249.1172382 g/mol
Topological Polar Surface Area
64.3Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
316
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-112898198-A | Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof | 2020-12-24 |
| WO-2022049534-A1 | Polymorphic forms of a rorγ inhibiting compound and processes for its preparation | 2020-09-03 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| CN-111574426-A | Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer | 2020-05-27 |
| CN-111303133-A | Small molecule compound for degrading EZH2 protein | 2020-03-25 |
| WO-2021178920-A1 | Compounds for targeted degradation of brd9 | 2020-03-05 |
| CN-111004149-A | Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile | 2019-12-27 |
| CN-111057011-A | Preparation method of 5, 6-bis (4-aminobenzyl) -1-methyl-2-phenylbenzimidazole | 2019-12-24 |
| CN-111116484-A | Preparation method of 5, 6-bis (4-aminobenzyl) -1,2 dimethyl-benzimidazole | 2019-12-24 |
| CN-111116485-A | Preparation method of 5, 6-bis (4-aminobenzyl) -2-trifluoromethyl-1H-benzimidazole | 2019-12-24 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22520258 | 2012-05-15 | A novel pyrimidine derivatives with aryl urea, thiourea and sulfonamide moieties: synthesis, anti-inflammatory and antimicrobial evaluation | Bioorganic & medicinal chemistry letters |
