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Bis(catecholato)diboron (B2cat2)

CAS 13826-27-2 ≥98%

Bis(catecholato)diboron (B2cat2) | CAS 13826-27-2 | ≥98%

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Technical Specifications

CAS Number 13826-27-2
EC / EINECS Number 691-473-8
MDL Number MFCD09842343
SMILES B1(OC2=CC=CC=C2O1)B3OC4=CC=CC=C4O3
InChI InChI=1S/C12H8B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H
InChIKey WYBQOWXCLDXZNR-UHFFFAOYSA-N
PubChem CID 3488065
Molecular Formula C₁₂H₈B₂O₄
Molecular Weight 237.8 g/mol
Melting Point 192 - 197 °C
Solubility Sparingly soluble in common organic solvents. Forms Lewis-base adducts with amide solvents such as DMF, DMA and NMP.
Purity ≥98%
Physical Form White to light yellow crystalline powder
HS Code 2920.90
Shelf Life Retest period: 36 months from date of manufacture
Storage Conditions Tightly closed. Dry. Air and moisture sensitive. Handle and store under inert gas.

Product Description & Scientific Applications

Bis(catecholato)diboron (B₂cat₂) is two catechol boronate esters joined by a B–B bond. The aromatic diolate withdraws density from boron, so both centres are far more Lewis acidic than those of the pinacol ester. The white to light-orange crystalline solid is sparingly soluble in common organic solvents and is handled under inert gas, away from air and moisture.

Lewis-base activation. Each boron carries an empty p orbital. A Lewis base coordinates to one of them and inverts the electronic character of the reagent. The Lewis acid becomes an electron donor and transfers a boryl group. Amide solvents do this unaided, serving as medium and activator at once.

Radical borylation. Alkyl and aryl iodides borylate under mild conditions with no metal present. Alkylamines activated as pyridinium salts give alkyl trifluoroborate salts, and visible light drives the same reaction without catalyst or additive. Alkyl carboxylic acids borylate decarboxylatively, primary through tertiary.

Deoxygenative borylation. Alcohols preactivated as thionocarbonates undergo Barton–McCombie radical deoxygenation under visible light, with no photocatalyst, initiator or tin hydride. Aldehydes and ketones react directly in N,N-dimethylacetamide with no base: aldehydes give 1,1,2-tris(boronates), ketones give benzylboronates.

Chemoselective reduction. Sulfoxides reduce to sulfides. Halides, alkynes, carbonyls, nitriles and heterocycles survive intact.

Diboration. An amine catalyst diborates hindered alkenes through an sp²–sp³ adduct, and the catechol esters transesterify to isolable pinacol boronates in the same pot.

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Safety Information

Hazard Class Not regulated for transport
Transport Category Not classified as dangerous goods for transport (ADR/IATA/IMDG)
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