8.01336

Pivalic acid

for synthesis

• Sinónimos: Pivalic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, Trimethylacetic acid
• Fórmula lineal: (CH₃)₃CCOOH
• Número de CAS: 75-98-9
• Peso molecular: 102.13
• Número MDL: MFCD00004194
• Código UNSPSC: 12352106
• Número índice de la CE: 200-922-5
• NACRES: NA.22

Propiedades

• presión de vapor: 0.85 hPa ( 20 °C)
• Nivel de calidad: 200
• formulario: crystals
• potencia: 900 mg/kg LD₅₀, oral (Rat); 1900 mg/kg LD₅₀, skin (Rat)
• lim. expl.: 1.6 % (v/v)
• mp: 32-35 °C
• temperatura de transición: flash point 64 °C
• solubilidad: 25 g/L
• densidad: 0.91 g/cm³ at 20 °C
• temp. de almacenamiento: 2-30°C
• InChI: 1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
• Clave InChI: IUGYQRQAERSCNH-UHFFFAOYSA-N

Descripción

Aplicación

• 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).

Información de seguridad

• Pictogramas: GHS07
• Palabra de señalización: Warning
• Frases de peligro: H302 - H315 - H319
• Consejos de prudencia: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Clasificaciones de peligro: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 1
• Punto de inflamabilidad (°F): 147.2 °F - closed cup
• Punto de inflamabilidad (°C): 64 °C - closed cup