1,4-Benzodioxane-6-boronic Acid

Inquiry

Molecular Formula:

C8H9O4B

Molecular Weight:

179.97

CAS Number:

164014-95-3

Catalog Number:

164014-95-3

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

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

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0593889 g/mol

Monoisotopic Mass

180.0593889 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

176

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
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CN-112979532-B	Phthalimide compound, preparation method and application	2021-05-20
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CN-112321513-A	Heterocyclic compound and preparation method and application thereof	2020-11-06
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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

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