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CAS RN: 75-98-9 | 产品编码: P0461
Pivalic Acid
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技术规格
| Appearance | White or Colorless to Almost white or Almost colorless powder to lump to clear liquid |
| Purity(GC) | min. 99.0 % |
| Purity(Neutralization titration) | min. 98.0 % |
| Freezing point | 32.0 to 36.0 °C |
物性（参考值）
| 熔点 | 34 °C |
| 沸点 | 164 °C |
| 水溶性 | 微溶 |
| 在水中的溶解度 | 25 g/l 20 °C |
GHS
| 象形图 |
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| 信号词 | Danger |
| 危险性说明 | H302 + H312 : Harmful if swallowed or in contact with skin. H314 : Causes severe skin burns and eye damage. H371 : May cause damage to organs. H402 : Harmful to aquatic life. H290 : May be corrosive to metals. |
| 防范说明 | P501 : Dispose of contents/ container to an approved waste disposal plant. P273 : Avoid release to the environment. P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray. P270 : Do not eat, drink or smoke when using this product. P234 : Keep only in original container. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection. P390 : Absorb spillage to prevent material damage. P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor. P362 + P364 : Take off contaminated clothing and wash it before reuse. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth. P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor. P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor. P406 : Store in corrosive resistant container with a resistant inner liner. P405 : Store locked up. |
相关法规
| RTECS# | TO7700000 |
运输信息
| UN编号 | UN3261 |
| 类别 | 8 |
| 包装类别 | II |
| HS编码* | 2915.60-000 |
应用
Synthesis of N―H Carbazoles via Ir-catalyzed Intramolecular C―H Amination
Typical Procedure:
To a 20 mL two-necked flask with a reflux condenser and a rubber cap are added 2-aminobiphenyls (0.5 mmol), [Cp*IrCl2]2 (0.01 mmol, 8.0 mg), Cu(OAc)2 (0.1 mmol, 18 mg), pivalic acid (1 mmol, 102 mg), 1-methylnaphthalene (ca. 30 mg) as an internal standard, and N-methyl-2-pyrrolidone (NMP, 3 mL). Then, the resulting mixture is stirred under air at 120 °C for 3-6 h. After cooling, the reaction mixture is extracted with ethyl acetate (100 mL). The organic layer is washed by aqueous NaHCO3 (100 mL×3), and dried over Na2SO4. After evaporation of the solvents under vacuum, the product is isolated by column chromatography on silica gel using hexane-ethyl acetate (10:1) as the eluent.
To a 20 mL two-necked flask with a reflux condenser and a rubber cap are added 2-aminobiphenyls (0.5 mmol), [Cp*IrCl2]2 (0.01 mmol, 8.0 mg), Cu(OAc)2 (0.1 mmol, 18 mg), pivalic acid (1 mmol, 102 mg), 1-methylnaphthalene (ca. 30 mg) as an internal standard, and N-methyl-2-pyrrolidone (NMP, 3 mL). Then, the resulting mixture is stirred under air at 120 °C for 3-6 h. After cooling, the reaction mixture is extracted with ethyl acetate (100 mL). The organic layer is washed by aqueous NaHCO3 (100 mL×3), and dried over Na2SO4. After evaporation of the solvents under vacuum, the product is isolated by column chromatography on silica gel using hexane-ethyl acetate (10:1) as the eluent.
References
应用
Pd-Catalyzed Z-Selective Oxidative Amination of Olefins
Typical Procedure:
A mixture of butyl acrylate (128 mg, 1.0 mmol) and o-toluidine (322 mg, 3.0 mmol) is allowed to react with Pd(OAc)2 (6.7 mg, 0.03 mmol, 3 mol%) and pivalic acid (26 mg, 0.25 mmol) in NMP (0.5 mL) at 60 °C for 15 h under open air in a 30 mL round-bottomed flask. The crude reaction mixture is cooled to room temperature. EtOAc (30 mL) is added to the dark solution. The residue is purified by column chromatography on silica gel (EtOAc : Hexane = 1 : 40) to provide (Z)-butyl 3-(o-tolylamino)acrylate (210 mg, Y. 90%).
A mixture of butyl acrylate (128 mg, 1.0 mmol) and o-toluidine (322 mg, 3.0 mmol) is allowed to react with Pd(OAc)2 (6.7 mg, 0.03 mmol, 3 mol%) and pivalic acid (26 mg, 0.25 mmol) in NMP (0.5 mL) at 60 °C for 15 h under open air in a 30 mL round-bottomed flask. The crude reaction mixture is cooled to room temperature. EtOAc (30 mL) is added to the dark solution. The residue is purified by column chromatography on silica gel (EtOAc : Hexane = 1 : 40) to provide (Z)-butyl 3-(o-tolylamino)acrylate (210 mg, Y. 90%).
References
参考文献
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