[(t-Bu-Phebox-dm)RhCl2(H2O)] | 915032-83-6

• 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: [(t-Bu-Phebox-dm)RhCl2(H2O)]
• 英文别名: 2-[3-tert-butyl-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzene-6-id-1-yl]-4,4-dimethyl-5H-1,3-oxazole;dichlororhodium(1+);hydrate
• CAS: 915032-83-6
• 化学式: C₂₀H₂₉Cl₂N₂O₃Rh
• 分子量: 519.273
• InChiKey: USVMZAIQSGBBNH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  44.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-氯吡啶 、 [(t-Bu-Phebox-dm)RhCl2(H2O)] 在 diisopropylamine 、 molecular sieves 4Å 作用下， 以 甲苯 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a (Phebox)Rh-Chloro Complex

  摘要：

  Oxidative addition of chlorobenzene and p-chlorotoluene by (Phebox)RhCl2(H2O) (1) in the presence of diisopropylamine was examined and was shown to produce the corresponding aryl complexes (Phebox)RhCl(Ar)(H2O) in high yields via C-Cl bond cleavage. Reaction of 1 with chloropyridine in the presence of diisopropylamine provided a pyridinium rhodate complex.

  DOI：

  10.1021/om8002174
• 作为产物：
  描述：

  、 水 、 N-丙-2-基丙-2-亚胺 以 四氢呋喃 为溶剂， 以28%的产率得到
  参考文献：
  名称：

  Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence

  摘要：

  The unique C-C bond formation reaction between diisopropylamine and CH2Cl2 proceeding on a bis(oxazolinyl)phenyl rhodium complex (tBu-Phebox-dm)RhCl2(H2O) (1) was discovered. The intermediary chloromethyl complex, (tBu-Phebox- dm)Rh(CH2Cl)Cl(NEt3), which was obtained by reaction of 1 with CH2Cl2 in the presence of amine, underwent C-C bond formation with imine to give an azarhodacyclopentene complex, 2.

  DOI：

  10.1021/om0607595

文献信息

• Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a (Phebox)Rh-Chloro Complex
  作者：Jun-ichi Ito、Takeshi Miyakawa、Hisao Nishiyama

  DOI：10.1021/om8002174

  日期：2008.7.1

  Oxidative addition of chlorobenzene and p-chlorotoluene by (Phebox)RhCl2(H2O) (1) in the presence of diisopropylamine was examined and was shown to produce the corresponding aryl complexes (Phebox)RhCl(Ar)(H2O) in high yields via C-Cl bond cleavage. Reaction of 1 with chloropyridine in the presence of diisopropylamine provided a pyridinium rhodate complex.
• Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence
  作者：Jun-ichi Ito、Takeshi Miyakawa、Hisao Nishiyama

  DOI：10.1021/om0607595

  日期：2006.10.1

  The unique C-C bond formation reaction between diisopropylamine and CH2Cl2 proceeding on a bis(oxazolinyl)phenyl rhodium complex (tBu-Phebox-dm)RhCl2(H2O) (1) was discovered. The intermediary chloromethyl complex, (tBu-Phebox- dm)Rh(CH2Cl)Cl(NEt3), which was obtained by reaction of 1 with CH2Cl2 in the presence of amine, underwent C-C bond formation with imine to give an azarhodacyclopentene complex, 2.