T71803

Pivalic acid

99%

• Synonym(s): 2,2-Dimethylpropionic acid, Trimethylacetic acid
• Linear Formula: (CH₃)₃CCO₂H
• CAS Number: 75-98-9
• Molecular Weight: 102.13
• Beilstein: 969480
• EC Number: 200-922-5
• MDL number: MFCD00004194
• UNSPSC Code: 12352100
• PubChem Substance ID: 24900421
• NACRES: NA.22

Properties

• vapor density: 3.6 (vs air)
• vapor pressure: 9.75 mmHg ( 60 °C)
• Assay: 99%
• reaction suitability: reaction type: C-H Activation
• bp: 163-164 °C (lit.)
• mp: 32-35 °C (lit.)
• density: 0.889 g/mL at 25 °C (lit.)
• functional group: carboxylic acid
• SMILES string: OC(C(C)(C)C)=O
• InChI: 1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
• InChI key: IUGYQRQAERSCNH-UHFFFAOYSA-N

Description

General description

Pivalic acid is a carboxylic acid, employed as a ligand to synthesize cerium(IV) hexanuclear clusters.

Application

Pivalic acid can be employed:

• As a co-catalyst with palladium for the arylation of unactivated arenes and N-heterocycles.
• As an additive to facilitate the carbonylative suzuki reactions to synthesize biaryl ketones from aryl iodides and arylboronic acids by using palladium nanoparticles as catalyst.
• In the cyclization reaction of benzamides with alkynes to synthesize isoquinolones in the presence of 8-aminoquinoline ligand and cobalt catalyst.

Caution

Pungent odour/Stench

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H315,H319
• Precautionary Statements: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): 147.2 °F - closed cup
• Flash Point(C): 64 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves