Lithium triisopropyl 2-(6-methoxypyridyl)borate - ≥95% , CAS No.1048030-47-2

CAS: 1048030-47-2 Cat. No.: L947728 PubChem CID: 53216971

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [Li+].[B-](C1=NC(=CC=C1)OC)(OC(C)C)(OC(C)C)OC(C)C
• IUPAC Name: lithium;(6-methoxypyridin-2-yl)-tri(propan-2-yloxy)boranuide
• InChIKey: XPIYLTPAFTWKTN-UHFFFAOYSA-N
• INCHI: 1S/C15H27BNO4.Li/c1-11(2)19-16(20-12(3)4,21-13(5)6)14-9-8-10-15(17-14)18-7;/h8-13H,1-7H3;/q-1;+1
• Isomeric SMILES: [Li+].[B-](C1=NC(=CC=C1)OC)(OC(C)C)(OC(C)C)OC(C)C
• Alternate CAS: 1048030-47-2
• PubChem CID: 53216971

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Boronic acid esters Organic metalloid salts Organic lithium salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Organic oxoanionic compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Boronic acid ester - Heteroaromatic compound - Boronic acid derivative - Organic borate - Organic lithium salt - Azacycle - Organic alkali metal salt - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organic salt - Organic metalloid moeity - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Molecular Weight: 303.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 303.219 Da
• Monoisotopic Mass: 303.219 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 279.000
• 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: 2

XLogP3