8.01336

Pivalic acid

for synthesis

• 别名: Pivalic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, Trimethylacetic acid
• 线性分子式: (CH₃)₃CCOOH
• CAS号: 75-98-9
• 分子量: 102.13
• MDL號碼: MFCD00004194
• 分類程式碼代碼: 12352106
• 酶委員會索引編號: 200-922-5
• NACRES: NA.22

属性

• 蒸汽壓力: 0.85 hPa ( 20 °C)
• 品質等級: 200
• 形狀: crystals
• 效力: 900 mg/kg LD₅₀, oral (Rat); 1900 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.6 % (v/v)
• mp: 32-35 °C
• 轉變溫度: flash point 64 °C
• 溶解度: 25 g/L
• 密度: 0.91 g/cm³ at 20 °C
• 儲存溫度: 2-30°C
• InChI: 1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
• InChI 密鑰: IUGYQRQAERSCNH-UHFFFAOYSA-N

说明

應用

• 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).

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H302 - H315 - H319
• 防範說明: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• 危險分類: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: 147.2 °F - closed cup
• 閃點（°C）: 64 °C - closed cup