Bis(hexylene glycolato)diboron - ≥98% , CAS No.230299-21-5

CAS: 230299-21-5 Cat. No.: B119734 Molecular Weight: 253.94 EC Number: 673-658-5

GRADE & PURITY ≥98%

Synonyms

SY010019 | A816507 | AKOS015908249 | SCHEMBL4135210 | AM62761 | Bis(hexylene glycolato)diboron | 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane | 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborin

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Application:

Bis(hexylene glycolato)diboron can be used as a reagent:

1. To prepare aryl boronate esters via metal-catalyzed direct C-H borylation of aryl compounds.

2. In the chemoselective synthesis of C−C coupling products via nickel catalyzed coupling of primary and secondary alkyl halides.

3. In the nickel-catalyzed regioselective arylboration of terminal nonactivated alkenes to yield alkyl boranes.

Specifications

Synonyms

SY010019 | A816507 | AKOS015908249 | SCHEMBL4135210 | AM62761 | Bis(hexylene glycolato)diboron | 4, 4, 6-trimethyl-2-(4, 4, 6-trimethyl-1, 3, 2-dioxaborinan-2-yl)-1, 3, 2-dioxaborinane | 4, 4, 6-trimethyl-2-(4, 4, 6-trimethyl-1, 3, 2-dioxaborinan-2-yl)-1, 3, 2-dioxaborin

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192615
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192615
• Canonical Smiles: B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C
• IUPAC Name: 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane
• InChIKey: UEBSWKNVDRJVHN-UHFFFAOYSA-N
• INCHI: 1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
• Isomeric SMILES: B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C
• WGK Germany: 3
• Molecular Weight: 253.94
• Reaxy-Rn: 14007748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14007748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxacyclic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxacyclic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxacyclic compounds
• Alternative Parents: Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxacyclic compounds. These are organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Melt Point(°C): 103.0-107.0°C
• Molecular Weight: 253.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.186 Da
• Monoisotopic Mass: 254.186 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 278.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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