铈(4+)四(2-甲基-2-丙醇) | 90595-53-2

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 中文名称: 铈(4+)四(2-甲基-2-丙醇)
• 英文名称: cerium(IV) t-butoxide
• 英文别名: [Ce(OBu-t)4]；2-Propanol, 2-methyl-, cerium(4+) salt；cerium(4+);2-methylpropan-2-olate
• CAS: 90595-53-2
• 化学式: C₁₆H₃₆CeO₄
• 分子量: 432.579
• InChiKey: JUUPRTCPRDGKER-UHFFFAOYSA-N

物化性质

• 沸点：
  140-150°C 0,1mm

计算性质

• 辛醇/水分配系数(LogP)：
  0.58
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• TSCA：
  No
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38

反应信息

• 作为反应物：
  描述：

  铈(4+)四(2-甲基-2-丙醇) 以 甲苯 为溶剂， 生成 cerium(IV) oxide
  参考文献：
  名称：

  Investigation of the structure and activity of VOx/CeO2/SiO2 catalysts for methanol oxidation to formaldehyde

  摘要：

  The effect of ceria on the partial oxidation of methanol to formaldehyde over VOx/CeO2/SiO2 catalysts was investigated. A two-dimensional layer of ceria on silica was prepared by grafting cerium (IV) t-butoxide (Ce(OC4H9)(4)) onto high surface area, mesoporous silica, SBA-15, and then calcining the resulting product in air at 773 K. Ce surface concentrations obtained this way ranged from 0.2 to 0.9 Ce nm(-2). Next, V was introduced by grafting VO((OPr)-Pr-i)(3) onto CeO2/SiO2 in order to achieve a surface concentration of 0.6 V nm(-2). XANEs spectra indicate that all of the V is in the 5+ oxidation state and Raman spectra show that vanadia exist as pseudo-tetrahedra bonded to either silica or ceria. Data from Raman spectroscopy and temperature-programmed desorption of adsorbed methanol indicate that with increasing Ce surface density, most of the V becomes associated with the deposited ceria. The turnover frequency for methanol oxidation is nearly two orders of magnitude higher for VOx/CeO2/SiO2 than for VOx/SiO2, whereas the apparent activation energy and apparent first-order pre-exponential factor are 17 kcal/mol and 1.4 x 10(6) mol CH2O (mol V atm s)(-1), respectively, for VOx(/)CeO(2)/SiO2 and 23 kcal/mol and 2.3 x 10(7) mol CH2O (mol V atm s)(-1), respectively, for VOx/SiO2. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2011.09.024
• 作为产物：
  描述：

  异丙醇铈 、 叔丁醇 以 苯 为溶剂， 生成 铈(4+)四(2-甲基-2-丙醇)
  参考文献：
  名称：

  Bradley, D. C.; Chatterjee, A. K.; Wardlaw, W., Journal of the Chemical Society

  摘要：

  DOI：
• 作为试剂：
  描述：

  对甲氧基苯乙酸 在 铈(4+)四(2-甲基-2-丙醇) 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 4-甲氧基苯甲醛 、 4-甲氧基苄醇
  参考文献：
  名称：

  用于从羧酸催化自由基形成的羧酸铈 (IV) 光催化剂：脂肪族羧酸的脱羧氧化和芳香族羧酸的内酯化

  摘要：

  我们发现，通过将前体 Ce(OtBu)4 与相应的羧酸混合产生的原位生成的羧酸铈 (IV) 作为有效的光催化剂，在蓝色发光二极管（蓝色 LED）下直接由羧酸形成羧基。 ) 辐照和空气，导致脂肪族羧酸的催化脱羧氧化，得到形成 CO 键的产物，如醛和酮。对照实验表明，六核 Ce(IV) 羧酸盐簇最初在反应混合物中形成，Ce(IV) 羧酸盐簇的配体-金属电荷转移性质是将羧酸盐配体转化为羧基的高催化性能的原因激进的。此外，

  DOI：

  10.1021/jacs.9b12918

文献信息

• Organometallic Cerium Complexes from Tetravalent Coordination Complexes
  作者：Polly L. Arnold、Ian J. Casely、Sergey Zlatogorsky、Claire Wilson

  DOI：10.1002/hlca.200900152

  日期：2009.11

  [CeIV(N‐heterocyclic carbene)] complexes (of unsaturated and saturated carbenes, resp.). Instead, tetravalent cerium imidazolium [(OtBu)3Ce(μ‐OtBu)2(μ‐HL)Ce(OtBu)3], or imidazolinium adducts [(OtBu)3Ce(μ‐OtBu)2(μ‐HLS)Ce(OtBu)3] were isolated. However, the salt metathesis of cerium triflate with KL provided a simple route to [CeL4], which was significantly improved if an external oxidant, benzoquinone

  研究了使用四价铈醇盐，硝酸盐和三氟甲磺酸盐作为制备[Ce IV（卡宾）]配合物的直接途径。含1 H咪唑鎓或咪唑啉（= 4,5-二氢-1 H咪唑）的醇盐配体HL（L = OCMe 2 CH 2 [1-C（NCHCHN i Pr）]）和HL S（ L S = OCMe 2 CH 2 [1-C（NCH 2 CH 2 N i Pr）]）和Ce IV 叔丁醇盐，三氟甲磺酸盐和硝酸盐化合物被研究为目标[Ce IV（N-杂环卡宾）络合物（分别为不饱和和饱和的卡宾）。相反，四价铈咪唑鎓[（O吨丁基）3的Ce（μ -O吨丁基）2（μ -HL）的Ce（O吨丁基）3 ]，或咪唑啉加合物[（O吨丁基）3的Ce（μ -O吨丁基）2（μ -HL小号）的Ce（O吨丁基）3 ]中分离得到。但是，三氟甲磺酸铈与KL的盐易位提供了一条简单的途径[CeL 4]，如果在混合物中加入外部氧化剂苯醌以保持氧化态完整性，则可显着改善。
• Bradley, D. C.; Chatterjee, A. K.; Wardlaw, W., Journal of the Chemical Society
  作者：Bradley, D. C.、Chatterjee, A. K.、Wardlaw, W.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sc: MVol.D3, 2.8, page 28 - 28
  作者：

  DOI：——

  日期：——
• Cerium(IV) Carboxylate Photocatalyst for Catalytic Radical Formation from Carboxylic Acids: Decarboxylative Oxygenation of Aliphatic Carboxylic Acids and Lactonization of Aromatic Carboxylic Acids
  作者：Satoru Shirase、Sota Tamaki、Koichi Shinohara、Keishi Hirosawa、Hayato Tsurugi、Tetsuya Satoh、Kazushi Mashima

  DOI：10.1021/jacs.9b12918

  日期：2020.3.25

  generated by mixing the precursor Ce(OtBu)4 with the corresponding carboxylic acids served as efficient photocatalysts for the direct formation of carboxyl radicals from carboxylic acids under blue light-emitting diodes (blue LEDs) irradiation and air, resulting in catalytic decarboxylative oxygenation of aliphatic carboxylic acids to give C-O bond-forming products such as aldehydes and ketones. Control

  我们发现，通过将前体 Ce(OtBu)4 与相应的羧酸混合产生的原位生成的羧酸铈 (IV) 作为有效的光催化剂，在蓝色发光二极管（蓝色 LED）下直接由羧酸形成羧基。 ) 辐照和空气，导致脂肪族羧酸的催化脱羧氧化，得到形成 CO 键的产物，如醛和酮。对照实验表明，六核 Ce(IV) 羧酸盐簇最初在反应混合物中形成，Ce(IV) 羧酸盐簇的配体-金属电荷转移性质是将羧酸盐配体转化为羧基的高催化性能的原因激进的。此外，
• Investigation of the structure and activity of VOx/CeO2/SiO2 catalysts for methanol oxidation to formaldehyde
  作者：William C. Vining、Jennifer Strunk、Alexis T. Bell

  DOI：10.1016/j.jcat.2011.09.024

  日期：2012.1

  The effect of ceria on the partial oxidation of methanol to formaldehyde over VOx/CeO2/SiO2 catalysts was investigated. A two-dimensional layer of ceria on silica was prepared by grafting cerium (IV) t-butoxide (Ce(OC4H9)(4)) onto high surface area, mesoporous silica, SBA-15, and then calcining the resulting product in air at 773 K. Ce surface concentrations obtained this way ranged from 0.2 to 0.9 Ce nm(-2). Next, V was introduced by grafting VO((OPr)-Pr-i)(3) onto CeO2/SiO2 in order to achieve a surface concentration of 0.6 V nm(-2). XANEs spectra indicate that all of the V is in the 5+ oxidation state and Raman spectra show that vanadia exist as pseudo-tetrahedra bonded to either silica or ceria. Data from Raman spectroscopy and temperature-programmed desorption of adsorbed methanol indicate that with increasing Ce surface density, most of the V becomes associated with the deposited ceria. The turnover frequency for methanol oxidation is nearly two orders of magnitude higher for VOx/CeO2/SiO2 than for VOx/SiO2, whereas the apparent activation energy and apparent first-order pre-exponential factor are 17 kcal/mol and 1.4 x 10(6) mol CH2O (mol V atm s)(-1), respectively, for VOx(/)CeO(2)/SiO2 and 23 kcal/mol and 2.3 x 10(7) mol CH2O (mol V atm s)(-1), respectively, for VOx/SiO2. (C) 2011 Elsevier Inc. All rights reserved.