8.01336

Pivalic acid

for synthesis

• Synonym(s): Pivalic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, Trimethylacetic acid
• Linear Formula: (CH₃)₃CCOOH
• CAS Number: 75-98-9
• Molecular Weight: 102.13
• MDL number: MFCD00004194
• UNSPSC Code: 12352106
• EC Index Number: 200-922-5
• NACRES: NA.22

Properties

• vapor pressure: 0.85 hPa ( 20 °C)
• Quality Level: 200
• form: crystals
• potency: 900 mg/kg LD₅₀, oral (Rat); 1900 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.6 % (v/v)
• mp: 32-35 °C
• transition temp: flash point 64 °C
• solubility: 25 g/L
• density: 0.91 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
• InChI key: IUGYQRQAERSCNH-UHFFFAOYSA-N

Description

Application

• Regiodivergent synthesis involving pivalic acid: A ligand-controlled regiodivergent C-H alkenylation process using pivalic acid, advancing the synthesis of complex indazoles and potentially impacting pharmaceutical compound development (Kim et al., 2017).


• Pivalic acid in radiochemical syntheses: The study utilized pivalic acid derivatives for the synthesis of novel radioiodinated pharmaceuticals for hypoxia imaging, highlighting its utility in diagnostic and therapeutic applications in the medical field (Elsaidi et al., 2019).


• Capillary electrophoretic applications of pivalic acid: Research explored new methods of cationic electrophoretic focusing using pivalic acid for high-sensitivity analysis of water contaminants, providing insights into environmental monitoring techniques (Malá and Gebauer, 2022).


• Cyclative coupling using pivalic acid: Zhuang et al. described a novel cyclative C-H/C-H coupling technique facilitated by pivalic acid, which rapidly constructs complex molecular frameworks like tetralin and chromane, useful in drug discovery and development (Zhuang et al., 2021).

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