3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - ≥98% , CAS No.329214-79-1

CAS: 329214-79-1 Cat. No.: T162805 Molecular Weight: 205.06 EC Number: 627-672-3 PubChem CID: 2734656

GRADE & PURITY ≥98%

Synonyms

3-Pyridineboronicacidpinacolester | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyridine | 3-Pyridineboronic acid pinacol ester | STL556934 | BB 0256852 | FT-0644428 | A5883 | AKOS004114765 | PYRIDIN-3-YLBORONIC ACID PINACOL ESTER | SY005595 | 2-(3-Py

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-Pyridineboronicacidpinacolester | 3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane-2-yl)pyridine | 3-Pyridineboronic acid pinacol ester | STL556934 | BB 0256852 | FT-0644428 | A5883 | AKOS004114765 | PYRIDIN-3-YLBORONIC ACID PINACOL ESTER | SY005595 | 2-(3-Py

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192634
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192634
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• InChIKey: XEMDFESAXKSEGI-UHFFFAOYSA-N
• INCHI: 1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2
• WGK Germany: 3
• PubChem CID: 2734656
• Molecular Weight: 205.06
• Reaxy-Rn: 8762710

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Solubility: Soluble in Acetone
• Melt Point(°C): 104 °C
• Molecular Weight: 205.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.127 Da
• Monoisotopic Mass: 205.127 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• 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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