2,2'-Bi-1,3,2-dioxaborinane

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Molecular Formula:

C6H12B2O4

Molecular Weight:

169.78

CAS Number:

13826-25-0

Catalog Number:

13826-25-0

Product Information

Molecular Formula:

C6H12B2O4

Molecular Weight:

169.78

Description

As reported by the laboratory of James Morken, B2(pro)2 is an effective reagent for enantioselective diboration of alkenes when used in conjunction with the carbohydrate-derived catalysts TBS-DHG (901235) or DHR (901237). Useful for synthesis of other boron-containing molecules.

Synonyms

B2(pro)2,Propanediol diboron

IUPAC Name

2-(1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane

Canonical SMILES

B1(OCCCO1)B2OCCCO2

InChI

InChI=1S/C6H12B2O4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H2

InChI Key

FOGDFVUQHQEIPV-UHFFFAOYSA-N

Melting Point

156 °C

Flash Point

Not applicable

Purity

≥95%

Storage

−20°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.0921692 g/mol

Monoisotopic Mass

170.0921692 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

118

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2,2'-Bi-1,3,2-dioxaborinane

Product Information

Computed Properties

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