Quinoxaline-6-boronic acid pinacol ester - ≥97% , CAS No.1167418-13-4

CAS: 1167418-13-4 Cat. No.: Q166183 Molecular Weight: 256.11 EC Number: 633-705-2 PubChem CID: 44118298

GRADE & PURITY ≥97%

Synonyms

EN300-221441 | J-518011 | DTXSID40656823 | 1167418-13-4 | BCP23503 | SCHEMBL20357 | 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline | QUINOXALIN-6-YLBORONIC ACID PINACOL ESTER | 6-quinoxaline boronic acid pinacol ester | ZYWICCYXTGRUNM-UHFFFAOY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application：

Quinoxaline-6-boronic acid pinacol ester is a common reactant of a Suzuki coupling reaction that can be used: 1.To prepare quinoxalin based PI3Kδ inhibitors. 2.As a substrate in the Cu(II) catalyzed [11C]-radiocyanation of arylboronic acids. 3.To prepare 6-quinoxaline boronic acid, which is used as a substrate in the silver-mediated fluorination of boronic acids.

Specifications

Synonyms

EN300-221441 | J-518011 | DTXSID40656823 | 1167418-13-4 | BCP23503 | SCHEMBL20357 | 6-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)quinoxaline | QUINOXALIN-6-YLBORONIC ACID PINACOL ESTER | 6-quinoxaline boronic acid pinacol ester | ZYWICCYXTGRUNM-UHFFFAOY

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770233
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770233
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3C=C2
• IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
• InChIKey: ZYWICCYXTGRUNM-UHFFFAOYSA-N
• INCHI: 1S/C14H17BN2O2/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-9H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3C=C2
• PubChem CID: 44118298
• Molecular Weight: 256.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazines Benzenoids Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Pyrazine - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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: Air sensitive
• Specific Rotation[α]: n20/D 1.560
• Molecular Weight: 256.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.138 Da
• Monoisotopic Mass: 256.138 Da
• Topological Polar Surface Area: 44.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 332.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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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