694037

Cesium pivalate

98%

• Synonym(s): Cesium 2,2-dimethylpropanoate, Cesium trimethylacetate
• Empirical Formula (Hill Notation): C₅H₉O₂Cs
• CAS Number: 20442-70-0
• Molecular Weight: 234.03
• MDL number: MFCD10567040
• UNSPSC Code: 12352302
• PubChem Substance ID: 329761643
• NACRES: NA.22

Properties

• Assay: 98%
• form: powder
• mp: 344-348 °C
• SMILES string: [Cs+].CC(C)(C)C([O-])=O
• InChI: 1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1
• InChI key: LGVUAXNPXVXCCW-UHFFFAOYSA-M

Description

General description

Cesium pivalate is an organic base widely used in palladium-catalyzed cross-coupling and carbonylation reactions due to its solubility in organic solvents.

Application

Cesium pivalate can be used as a base to synthesize:

• Fluoren-9-one derivatives by cyclocarbonylation of o-halobiaryls in the presence of palladium catalyst.
• Fused heterocycles (dihydrobenzofurans and indolines) from o-bromo phenol and aniline precursors via Pd-catalyzed intramolecular coupling of two C(sp3)-H bonds.
• Amides and esters derivatives containing a quaternary β-carbon atom by Pd-catalyzed C-H activation and amino/alkoxycarbonylation reaction.

It can also be used as a base in the palladium-catalyzed Mizoroki-Heck reaction.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves