4-(Boc-amino)phenylboronic Acid
Product Information
Molecular Formula
C11H16NO4B
Molecular Weight
237.06
Description
Boronic acid used in a study of the rhodium-catalyzed desymmetrization of a meso-cyclic allylic dicarbonate via SN2' substitution.
Synonyms
[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]boronic acid; [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
IUPAC Name
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key
UBVOLHQIEQVXGM-UHFFFAOYSA-N
Melting Point
199-204 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.18 g/cm3
Appearance
Solid
LogP
0.78640
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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
257
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 |
|---|---|---|
| WO-2022028586-A1 | Compounds as c5ar inhibitors | 2020-08-07 |
| WO-2022029041-A1 | 2-(4-((5-(benzo[b]thiophen-3-yl)-1h-tetrazol-1-yl)methyl)phenyl)-5-(difluoromethyl)-1,3,4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (hdac6) for use in treating e.g. peripheral neuropathy | 2020-08-07 |
| WO-2021244609-A1 | Compound having macrocyclic structure and use thereof | 2020-06-04 |
| WO-2021247217-A1 | Lpa receptor antagonists and uses thereof | 2020-06-03 |
| CN-113583020-A | JAK2 inhibitor and application | 2020-04-30 |
| WO-2021219140-A1 | Jak2 inhibitor and application thereof | 2020-04-30 |
| CN-112480116-A | PKB inhibitors | 2019-09-11 |
| WO-2021013693-A1 | Antibody drug conjugates (adcs) with nampt inhibitors | 2019-07-23 |
| EP-3967694-A1 | 2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor | 2019-06-06 |
| WO-2020186632-A1 | Benzidine compound and application thereof | 2019-03-18 |
