[Bis(trifluoroacetoxy)iodo]benzene 双(三氟乙酰氧基)碘代苯
CAS 2712-78-9 MFCD00009672
化学结构图
SMILES: O=C(O[IH2](OC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F
化学属性
| Mol. Formula | C10H5F6IO4 |
|---|---|
| Mol. Weight | 430.04 |
| Melting Point | 121-125°C |
| TSCA | No |
| Solubility | 不溶 |
| Density | 1.95 |
| Stability | 对光线敏感，对湿度敏感 |
别名和识别编码
| Chemical Name | [Bis(trifluoroacetoxy)iodo]benzene |
|---|---|
| CAS Number | 2712-78-9 |
| Alfabeta Name | BISTRIFLUOROACETOXYIODOBENZENE []() |
| MDL Number | MFCD00009672 |
| Synonym | (Bis(trifluoroacetoxy)iodo)benzene {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Bis(trifluoroacetoxy)iodo)benze |
| EC Number | 220-308-0 |
| Beilstein Registry Number | 764767 |
| PubChem Substance ID | 102317 |
| Reaxys-RN | 764767 |
| Merck Number | 7295 |
| Chemical Name Translation | 双(三氟乙酰氧基)碘代苯 |
| LabNetwork Molecule ID | LN00115982 |
| InChI | InChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H |
| Canonical SMILES | O=C(OI(C1=CC=CC=C1)OC(C(F)(F)F)=O)C(F)(F)F |
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分类
- {SNA} Chemical Synthesis, Hypervalent Iodine, Oxidizing Agents, Synthetic Reagents
产品应用
- 用于在酸性条件下酮类的α-羟基化， 也用于氟化作用试剂等。
相关文献及参考
- Merck: 14,7295
- Terminal alkynes are oxidized by PIFA to ɑ-hydroxy ketones: Tetrahedron Lett., 26, 3837 (1985).
- Hypervalent iodine oxidizing agent, cf Iodosobenzene diacetate, B24531. PIFA oxidizes hydroquinones and catechols to benzoquinones. In the presence of a nucleophile, 4-substituted phenols give the corresponding 4,4-disubstituted cyclohexadienone: J. Chem. Soc., Perkin 1, 1891 (1993); 2047 (1994), and refs. therein. In water, 1,4-dimethoxy aromatics undergo oxidative demethylation to p-quinones: Tetrahedron Lett., 42, 6899 (2001). In TFA, acetanilides can be hydroxylated in the p-position: J. Org. Chem., 67, 7424 (2002).
- For a brief feature on uses of this reagent in synthesis, see: Synlett, 2851 (2006). For a comprehensive review of polyvalent iodine compounds, see: Chem. Rev., 96, 1123 (1996).
- Primary amides undergo a Hofmann-like rearrangement to amines, avoiding the harsh conditions often required for the classical method: J. Org. Chem., 49, 4272, 4277 (1984); Synth. Commun., 18, 1615 (1988); Org. Synth. Coll., 8, 132 (1993). Promotes the azidation of alkyl groups of p-alkylanisoles with TMS azide: Tetrahedron Lett., 32, 4321 (1991); J. Am. Chem. Soc., 116, 3684 (1994); Synlett, 427 (1994), and also the direct nucleophilic sulfenylation and thiocyanation of phenol ethers with thiols and TMS isothiocyanate respectively: Synlett, 211 (1995); J. Org. Chem., 60, 7144 (1995).
- Mediates the selective cyanation of electron-rich aromatics with Trimethylsilyl cyanide, A19598, e.g. indoles to 2-cyanoindoles: Org. Lett., 7, 537 (2005).
安全信息
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S37 Wear suitable gloves 戴适当手套；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
- P234 Keep only in original container. 只保留在原来的容器中。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P264+P265
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P350
- P302+P352
- P302+P352+P332+P313+P362+P364
- P304+P340
- P305+P351+P338
- P305+P351+P338+P337+P313
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P332+P317
- P337+P313
- P337+P317
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P362+P364
- P403+P233
- P403+P235
- P405 Store locked up. 上锁保管。
- P420 Store away from other materials. 远离其他材料。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H242 Heating may cause a fire 加热可能会引起火灾
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
其他信息
- Acros Organics:双（三氟乙酰氧基）碘苯 [Bis(trifluoroacetoxy)iodo]benzene, 98%(2712-78-9)
- [双(三氟乙酰氧基)碘]苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1175 [双(三氟乙酰氧基)碘]苯 [Bis(trifluoroacetoxy)iodo]benzene 5G 115元 2014/06/02 B1175 [双(三氟乙酰氧基)碘]苯 [Bis(trifluoroacetoxy)iodo]benzene 25G 400元 2010/06/21 213670100 [双(三氟乙酰氧基)碘]苯 [Bis(trifluoroacetoxy)iodo]benzene 98% 10 GR 696元
- Hazard Note:Irritant/Keep Cold
- F:4.10-8-9-21
- TCI Shanghai:[二(三氟乙酰氧基)碘]苯 [Bis(trifluoroacetoxy)iodo]benzene,>;97.0%(T)(2712-78-9)
- 不溶于水,溶于有机溶剂.
- 图谱信息:[双(三氟乙酰氧基)碘]苯(2712-78-9)红外图谱(IR1) [双(三氟乙酰氧基)碘]苯(2712-78-9)核磁图( 1 HNMR) [双(三氟乙酰氧基)碘]苯(2712-78-9)红外图谱(IR2)
- MOL 文件:2712-78-9.mol
- 上游原料:二氯甲烷 --> 正己烷 --> 过氧化氢 --> 三氟乙酸酐 --> 过碳酸钠 --> 碘苯
- 敏感性:Moisture & Light Sensitive
- 用途一:用于在酸性条件下酮类的α-羟基化， 也用于氟化作用试剂等。
- Sigma Aldrich:2712-78-9(sigmaaldrich)
- Alfa Aesar:二(三氟乙酰氧基)碘代苯,97% [Bis(trifluoroacetoxy)iodo]benzene, 97%(2712-78-9)
