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CAS RN: 37342-97-5 | 产品编码: Z0010
Zirconocene Chloride Hydride
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| 产品编码 | Z0010 |
| 纯度/分析方法 | >96.0%(T) |
| 分子式/分子量 | C__1__0H__1__1ClZr = 257.87 |
| 外观与形状（20°C） | 固体 |
| 储存温度 | 室温 (15°C以下阴凉干燥处) |
| 储存在惰性气体下 | 存放于惰性气体之中 |
| 应避免的情况 | 光,空气,湿气 (分解) |
| CAS RN | 37342-97-5 |
| PubChem物质ID | 87577928 |
| Merck Index (14) | 8396 |
| MDL编号 | MFCD02089401 |
技术规格
| Appearance | White to Light yellow to Light orange powder to crystal |
| Purity(Chelometric Titration) | min. 96.0 % |
物性（参考值）
GHS
| 象形图 |
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| 信号词 | Danger |
| 危险性说明 | H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled. H314 : Causes severe skin burns and eye damage. H261 : In contact with water releases flammable gas. |
| 防范说明 | P501 : Dispose of contents/ container to an approved waste disposal plant. P260 : Do not breathe dusts or mists. P270 : Do not eat, drink or smoke when using this product. P231 + P232 : Handle under inert gas. Protect from moisture. P271 : Use only outdoors or in a well-ventilated area. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. 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. P402 + P404 : Store in a dry place. Store in a closed container. P405 : Store locked up. |
相关法规
运输信息
| UN编号 | UN3131 |
| 类别 | 4.3 / 8 |
| 包装类别 | II |
| HS编码* | 2931.90-000 |
应用
TCI Practical Example: Reduction of Amide Group Using Zirconocene Chloride Hydride
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Used Chemicals
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Procedure
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Zirconocene chloride hydride (0.43 g, 1.68 mmol) was added to a reaction vessel and dried in vacuo for 3 hours. Then, a THF solution (4.1 mL) of N,N-diethylnicotinamide (200 mg, 1.12 mmol) was added under argon atmosphere and the reaction mixture was stirred at room temperature for 30 minutes. The mixture was purified by chromatography on silica gel (hexane:ethyl acetate = 2:1) to give nicotinaldehyde as a brown oil (80.0 mg, 0.07 mmol, 60% yield).
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Experimenter’s Comments
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The reaction solution was monitored by TLC (hexane:ethyl acetate = 1:1) and UPLC.
The reaction vessel was dried up before use.
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Analytical Data
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Nicotinaldehyde
1H NMR (400 MHz, DNSO-d6); δ 10.09 (s, 1H), 9.07 (d, J = 1.4 Hz, 1H), 8.84 (dd, J = 5.0 Hz, 1.8 Hz, 1H), 8.23 (dt, J = 7.8 Hz, 2.1 Hz, 1H), 7.62 (dd, J = 8.5 Hz, 2.1 Hz, 1H).
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Lead Reference
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- Mild and Selective Hydrozirconation of Amides to Aldehydes Using Cp2Zr(H)Cl: Scope and Mechanistic Insight
参考文献
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