N-Boc-indole-2-boronic Acid
Product Information
Molecular Formula
C13H16NO4B
Molecular Weight
261.08
Description
Reactant involved in: Suzuki-Miyaura cross-coupling reactions; Copper-catalyzed trifluoromethylation; Palladium-catalyzed benzylation; Homocoupling reactions. Used in a synthesis of hydroxyquinones via Suzuki-Miyaura coupling of phenylidonium ylides of hydroxyquinones.
Synonyms
[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-indolyl]boronic acid; [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
IUPAC Name
[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
SMILES
B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18/h4-8,17-18H,1-3H3
InChI Key
SVIBPSNFXYUOFT-UHFFFAOYSA-N
Boiling Point
443.5 °C at 760 mmHg
Melting Point
84-94 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.17 g/cm3
Storage
−20 °C
LogP
1.10430
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
261.1172382 g/mol
Monoisotopic Mass
261.1172382 g/mol
Topological Polar Surface Area
71.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
342
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-113135900-A | Indole pyrimidine compound and synthesis method and application thereof | 2021-03-12 |
| WO-2022000443-A1 | Methods and compositions for targeting tregs using ccr8 inhibitors | 2020-07-03 |
| CN-111704616-A | Organic light-emitting compound and preparation method and application thereof | 2020-05-26 |
| WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 2020-02-12 |
| KR-20200138086-A | 1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 2019-05-31 |
| WO-2020240492-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 2019-05-31 |
| TW-202110828-A | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 2019-05-31 |
| AU-2020284167-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 2019-05-31 |
| CN-113924296-A | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2019-05-31 |
| US-2020369656-A1 | Inhibitors of camkk2 and uses of same | 2019-05-24 |
