8.01336

Pivalic acid

for synthesis

• 別名: Pivalic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, Trimethylacetic acid
• 化学式: (CH₃)₃CCOOH
• CAS番号: 75-98-9
• 分子量: 102.13
• MDL番号: MFCD00004194
• UNSPSCコード: 12352106
• EC Index Number: 200-922-5
• NACRES: NA.22

特性

• 蒸気圧: 0.85 hPa ( 20 °C)
• 品質水準: 200
• フォーム: crystals
• 有効性: 900 mg/kg LD₅₀, oral (Rat); 1900 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.6 % (v/v)
• mp: 32-35 °C
• 転移温度: flash point 64 °C
• 溶解性: 25 g/L
• 密度: 0.91 g/cm³ at 20 °C
• 保管温度: 2-30°C
• InChI: 1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
• InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N

詳細

アプリケーション

• 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).

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H302 - H315 - H319
• 注意書き: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• 危険有害性の分類: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 1
• 引火点(°F): 147.2 °F - closed cup
• 引火点(℃): 64 °C - closed cup