(dibenzyl ether)tricarbonylchromium(0) | 86567-40-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (dibenzyl ether)tricarbonylchromium(0)
• 英文别名: Carbon monoxide;chromium;phenylmethoxymethylbenzene
• CAS: 86567-40-0
• 化学式: C₁₇H₁₄CrO₄
• 分子量: 334.292
• InChiKey: NBHSFAJECUPLOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  12.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (dibenzyl ether)tricarbonylchromium(0) 在 正丁基锂 、 碘甲烷 作用下， 以 not given 为溶剂， 生成 (η6-benzyl 1-phenylethyl ether)tricarbonylchromium(O)
  参考文献：
  名称：

  通过抑制维蒂希峰和相关重排来精制α-取代的苄基醚和硫化物

  摘要：

  的协调苄烷基醚和硫化物铬三羰基允许α取代经由相应的α-碳负离子由维悌希和相关重排的抑制来实现。

  DOI：

  10.1039/c39830001316
• 作为产物：
  描述：

  (benzyl alcohol)tricarbonylchromium(0) 、 苯甲醇 在 硫酸 作用下， 以 not given 为溶剂， 生成 (dibenzyl ether)tricarbonylchromium(0)
  参考文献：
  名称：

  通过抑制维蒂希峰和相关重排来精制α-取代的苄基醚和硫化物

  摘要：

  的协调苄烷基醚和硫化物铬三羰基允许α取代经由相应的α-碳负离子由维悌希和相关重排的抑制来实现。

  DOI：

  10.1039/c39830001316

文献信息

• Gibson, Susan E.; Potter, P. Caroline V.; Smith, Mark H., Chemical Communications, 1996, # 24, p. 2757 - 2758
  作者：Gibson, Susan E.、Potter, P. Caroline V.、Smith, Mark H.

  DOI：——

  日期：——
• Force-field parameterisation, synthesis and crystal structure of a novel tricarbonylchromium arene complex
  作者：Samantha J. Hughes、John R. Moss、Kevin J. Naidoo、Janet F. Kelly、Andrei S. Batsanov

  DOI：10.1016/s0022-328x(99)00372-1

  日期：1999.10

  We construct a force field for organochromium poly(benzyl phenyl ether) dendrimers from reported experimental data and experimental data measured by us. Potential function terms are principally optimised through the use of crystal structure data of a novel [Cr(CO)(3)(C6H5CH2OCH2C6H5)Cr(CO)(3)] complex. We report the synthesis and the crystal structure data of the chromium complex. In addition the important benzyl ether linkage torsion angle parameter is optimized by comparison with ab initio torsional data of a model compound. With this information, a force field suitable for molecular mechanics and dynamics calculations of organochromium poly(benzyl phenyl ether) dendrimers is constructed. The force field is tested by mapping the energy surface and simulating the crystal structure of [Cr(CO)(3)(C6H5CH2OCH2C6H5)Cr(CO)(3)]. (C) 1999 Elsevier Science S.A. All rights reserved.
• Blagg, Julian; Davies, Stephen G.; Holman, Nicholas J., Journal of the Chemical Society. Perkin transactions I
  作者：Blagg, Julian、Davies, Stephen G.、Holman, Nicholas J.、Laughton, Charles A.、Mobbs, Bryan E.

  DOI：——

  日期：——
• Chiral base-mediated benzylic functionalisation of (alkyl benzyl ether)tricarbonylchromium(0) complexes
  作者：E. Lucy M. Cowton、Susan E. Gibson (née Thomas)、Michael J. Schneider、Mark H. Smith

  DOI：10.1039/cc9960000839

  日期：——

  Asymmetric functionalisation of the benzylic methylene group in tricarbonylchromium(0) complexes of alkyl benzyl ethers [(PhCH(2)OR)(CO)(3)Cr-0] is achieved in high yield (86-96%) and high enantiomeric excess (ee) (97 to greater than or equal to 99%) using chiral base methodology.
• Mono et dinitrosation en position benzylique des complexes du benz'ene chrometricarbonyle. Synth'ese directe d'oximes et d'hydroximates
  作者：M.-C. Senechal-Tocquer、D. Senechal、J.-Y. Le Bihan、D. Gentric、B. Caro、M. Gruselle、G. Jaouen

  DOI：10.1016/0022-328x(92)80152-n

  日期：1992.7

  In basic media, aromatic hydrocarbons and benzylmethylethers complexed by Cr(CO)3 units are readily nitrosated at the benzylic position by tBuONO, giving rise to Z and E oximes and hydroximates in moderate to excellent yields. With the meta-xylene and isochromane complexes it is possible to obtain a dinitrosation.