1,4-Benzodioxane-6-boronic Acid - CAS 164014-95-3
Catalog: |
BB012070 |
Product Name: |
1,4-Benzodioxane-6-boronic Acid |
CAS: |
164014-95-3 |
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 |
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. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9O4B |
Canonical 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 |
MDL: | MFCD01009696 |
LogP: | -0.86240 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-112979532-A | Phthalimide compound, preparation method and application | 20210520 |
CN-112979532-B | Phthalimide compound, preparation method and application | 20210520 |
CN-113264967-A | Programmed death ligand-1 targeted compound and preparation method and application thereof | 20210517 |
CN-112321513-A | Heterocyclic compound and preparation method and application thereof | 20201106 |
CN-112028916-A | Programmed cell death protein receptor-1 targeted molecular probe and preparation | 20200918 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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