Potassium tert-butoxide - ≥99.99% metals basis, May contain 0.5% Na , CAS No.865-47-4

CAS: 865-47-4 Cat. No.: P434283 Molecular Weight: 112.21 Beilstein Registry Number: 3556712 EC Number: 212-740-3

GRADE & PURITY ≥99.99% metals basis, May contain 0.5% Na

Synonyms

Potassium tert-butylate | Potassium T-butoxide

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Total impurities: may contain up to 5,000 ppm Sodium Potassium tert-butoxide is a strong alkoxide base, it can deprotonate carbon and other Brφnsted acids. It is a relatively poor nucleophile.

Application

Mizoroki-Heck-Type reactions are mediated by potassium tert-butoxide. potassium tert-butoxide can commence the anionic polymerization of carbazolyl-substituted oxiranes.

Specifications

Synonyms

Potassium tert-butylate | Potassium T-butoxide

Specifications & Purity

≥99.99% metals basis, May contain 0.5% Na

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99.99% metals basis

Names and Identifiers

• Canonical Smiles: CC(C)(C)[O-].[K+]
• IUPAC Name: potassium;2-methylpropan-2-olate
• InChIKey: LPNYRYFBWFDTMA-UHFFFAOYSA-N
• INCHI: 1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
• Isomeric SMILES: CC(C)(C)[O-].[K+]
• WGK Germany: 1
• UN Number: 3095
• Packing Group: I
• Molecular Weight: 112.21
• Beilstein: 3556712
• Reaxy-Rn: 3556712

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• 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
• Flash Point(°F): 53.6 °F
• Flash Point(°C): 12 °C
• Boil Point(°C): 275°C
• Melt Point(°C): 256-258°C
• Molecular Weight: 112.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.029 Da
• Monoisotopic Mass: 112.029 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.000
• 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

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