8.01336

Pivalic acid

for synthesis

• 동의어(들): 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 코드: 12352106
• EC 인덱스 번호: 200-922-5
• NACRES: NA.22

속성

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

설명

애플리케이션

• 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).

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H302 - H315 - H319
• 예방조치 성명서: 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