N-Boc-3-aminophenylboronic Acid
Product Information
Molecular Formula
C11H16NO4B
Molecular Weight
237.06
Description
Reactant for: Rhodium-catalyzed cross-coupling; Pd-catalyzed Suzuki-Miyaura coupling.
Synonyms
[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]boronic acid; [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
IUPAC Name
[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key
CWLNHPXWZRALFS-UHFFFAOYSA-N
Melting Point
168 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.18 g/cm3
Appearance
Solid
LogP
0.78640
Safety Information
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
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
237.1172382 g/mol
Monoisotopic Mass
237.1172382 g/mol
Topological Polar Surface Area
78.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
265
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-114188658-A | Thin film, preparation method thereof and battery | 2021-11-15 |
| WO-2021243015-A1 | Antibacterial compounds | 2020-05-27 |
| WO-2021236885-A1 | Piperidine-2,6-diones as small molecule degraders of helios and methods of use | 2020-05-21 |
| WO-2021147953-A1 | Pyrimido five-membered ring derivative and application thereof | 2020-01-21 |
| WO-2021065980-A1 | Bet degrader | 2019-09-30 |
| TW-202126638-A | BET decomposer | 2019-09-30 |
| WO-2020236654-A1 | Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof | 2019-05-17 |
| US-2021053986-A1 | Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof | 2019-05-17 |
| AU-2020278592-A1 | Cyano cyclobutyl compounds for Cbl-b inhibition and uses thereof | 2019-05-17 |
| CN-114206855-A | Cyanocyclobutyl compounds for Cbl-b inhibition and uses thereof | 2019-05-17 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21533876 | 2012-01-01 | Optimal phenotypic testing of AmpC beta-lactamases using boronic acid solutions | European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology |
| 20710065 | 2010-08-11 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
