1,4-Benzodioxane-6-boronic Acid
Product Information
Molecular Formula
C8H9O4B
Molecular Weight
179.97
Description
Reactant involved in: Addition reactions with 1,8-naphthyridine N-oxides; Iodocyclization and palladium-catalyzed coupling reactions for synthesis of pyranoquinolines; Suzuki coupling reactions for synthesis of combretastatin analogs; Suzuki-Miyaura coupling reactions for synthesis of aryl-substituted oxabenzindoles and methanobenzindoles; Palladium-catalyzed oxyarylation of Heck reaction intermediates; C-H functionalization of quinones.
Synonyms
2,3-dihydro-1,4-benzodioxin-6-ylboronic acid; 2,3-dihydro-1,4-benzodioxin-6-ylboronic acid
IUPAC Name
2,3-dihydro-1,4-benzodioxin-6-ylboronic acid
SMILES
B(C1=CC2=C(C=C1)OCCO2)(O)O
InChI
InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
InChI Key
SQDUGGGBJXULJR-UHFFFAOYSA-N
Boiling Point
361 °C at 760 mmHg
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.35 g/cm3
LogP
-0.86240
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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
180.0593889 g/mol
Monoisotopic Mass
180.0593889 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
176
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-113968824-A | 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof | 2021-11-29 |
| CN-114085184-A | Biphenyl derivative containing cyclopropane structure and preparation method and application thereof | 2021-11-17 |
| CN-113773273-A | Benzisothiazole compound, preparation method and application thereof | 2021-09-15 |
| CN-112979532-A | Phthalimide compound, preparation method and application | 2021-05-20 |
| CN-112979532-B | Phthalimide compound, preparation method and application | 2021-05-20 |
| CN-113264967-A | Programmed death ligand-1 targeted compound and preparation method and application thereof | 2021-05-17 |
| CN-112321513-A | Heterocyclic compound and preparation method and application thereof | 2020-11-06 |
| CN-112028916-A | Programmed cell death protein receptor-1 targeted molecular probe and preparation | 2020-09-18 |
| CN-114075123-A | Benzylamine derivative and preparation method and application thereof | 2020-08-11 |
| WO-2022033303-A1 | Benzylamine derivative, preparation method therefor and use thereof | 2020-08-11 |
